| CAS Number | 84677-05-4 |
| Catalog Number | AG00G8YL(AGN-PC-0USUYD) |
| Chemical Name | Methyl 1-([(benzyloxy)carbonyl]amino)cyclopropane-1-carboxylate |
| IUPAC Name | methyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate |
| InChI | InChI=1S/C13H15NO4/c1-17-11(15)13(7-8-13)14-12(16)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16) |
| InChI Key | FQNOQUWDRWTZDJ-UHFFFAOYSA-N |
| MDL Number | MFCD22056448 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.2625 |
| SMILES | O=C(C1(NC(OCC2=CC=CC=C2)=O)CC1)OC |
| Synonyms | 84677-05-4,
methyl 1-{[(benzyloxy)carbonyl]amino}cyclopropane-1-carboxylate,
Methyl 1-(((benzyloxy)carbonyl)amino)cyclopropanecarboxylate,
Methyl 1-{[(benzyloxy)carbonyl]aminocyclopropane-1-carboxylate,
Methyl 1-([(benzyloxy)carbonyl]amino)cyclopropane-1-carboxylate,
SCHEMBL1189554,
FQNOQUWDRWTZDJ-UHFFFAOYSA-N,
KS-000005GF,
MFCD22056448,
ZINC74942731,
AKOS030231485,
AS-53234,
CS-0049258,
FT-0719617,
methyl1-{[(benzyloxy)carbonyl]amino}cyclopropane-1-carboxylate,
1-(Benzyloxycarbonylamino)cyclopropane-1-carboxylic acid methyl ester,
methyl 1-({[(phenylmethyl)oxy]carbonyl}amino)cyclopropanecarboxylate,
Cyclopropanecarboxylic acid, 1-[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester,
1-[[(phenylmethoxy)carbonyl]amino]Cyclopropanecarboxylic acid methyl ester,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.266g/mol |
| Monoisotopic Mass | 249.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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