2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid

C11H13NO4 — CID 24709135

IUPAC2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(C)C(=O)O)c1O
InChIInChI=1S/C11H13NO4/c1-6-4-3-5-8(9(6)13)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyOGXNBOLVWVQVCT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds3

About 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid

2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid (PubChem CID 24709135) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
PubChem CID24709135
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(C)C(=O)O)c1O
InChIInChI=1S/C11H13NO4/c1-6-4-3-5-8(9(6)13)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyOGXNBOLVWVQVCT-UHFFFAOYSA-N
XLogP0.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
2-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43094510
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid (CID 24709135) is 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid is Cc1cccc(C(=O)NC(C)C(=O)O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is OGXNBOLVWVQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-4-3-5-8(9(6)13)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid?
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 24709135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).