2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid

CAS Registry Number®

102601-55-8
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CAS Name

2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid

Molecular Formula

C16H21NO5

Molecular Mass

307.34

Cite this Page

2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=102601-55-8 (retrieved 2024-04-28) (CAS RN: 102601-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21NO5/c1-4-13(18)10-6-5-7-11(14(10)16(21)22)17-12(15(19)20)8-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H,19,20)(H,21,22)

InChIKey

InChIKey=XAPOPSQDCLWKOB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C(CC)=O)C=CC=C1NC(CC(C)C)C(O)=O

Canonical SMILES

O=C(O)C=1C(=CC=CC1C(=O)CC)NC(C(=O)O)CC(C)C

Other Names for this Substance

  • Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-
  • Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-, (±)-
  • 2-[(1-Carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)benzoic acid

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