| CAS Number | 14675-99-1 |
| Catalog Number | AG00ASAH(AGN-PC-0PZA1L) |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-2-(naphthalen-1-yl)acetic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetic acid |
| InChI | InChI=1S/C17H19NO4/c1-17(2,3)22-16(21)18-14(15(19)20)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,21)(H,19,20) |
| InChI Key | HRBQDQOOFCWHTR-UHFFFAOYSA-N |
| MDL Number | MFCD07388849 |
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.3371 |
| SMILES | CC(C)(C)OC(=O)NC(C(O)=O)C1=CC=CC2=CC=CC=C12 |
| Synonyms | 14675-99-1,
tert-Butoxycarbonylamino-naphthalen-1-yl-acetic acid,
(N-BOC-Amino)(naphthalen-1-yl)acetic acid,
2-((tert-Butoxycarbonyl)amino)-2-(naphthalen-1-yl)acetic acid,
1-naphthaleneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-,
AC1N43SN,
SCHEMBL11049742,
AKOS026745521,
SC-61281,
TERT-BUTOXYCARBONYLAMINO-NAPHTHALEN-1-YL-ACETIC AC,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylacetic acid,
HRBQDQOOFCWHTR-UHFFFAOYSA-N,
CID4122650,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-yl-acetic Acid,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.342g/mol |
| Monoisotopic Mass | 301.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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