2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid

C14H17NO5 — CID 82324587

IUPAC2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
SMILESCc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H17NO5/c1-9-5-3-4-6-11(9)13(18)15(8-7-12(16)17)10(2)14(19)20/h3-6,10H,7-8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyUVYPWTQCGNTABV-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid

2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid (PubChem CID 82324587) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
PubChem CID82324587
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
SMILESCc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H17NO5/c1-9-5-3-4-6-11(9)13(18)15(8-7-12(16)17)10(2)14(19)20/h3-6,10H,7-8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyUVYPWTQCGNTABV-UHFFFAOYSA-N
XLogP1.39
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
CID 42699069
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
4-[(2-methylphenyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 61204814

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid (CID 82324587) is 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid is Cc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O.
What is the InChIKey of 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid?
The InChIKey is UVYPWTQCGNTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-5-3-4-6-11(9)13(18)15(8-7-12(16)17)10(2)14(19)20/h3-6,10H,7-8H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid?
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).