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

C14H17NO6 — CID 82324908

IUPAC2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H17NO6/c1-9(14(19)20)15(8-7-12(16)17)13(18)10-5-3-4-6-11(10)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyQPHVOQBFKYLOET-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.09
Rot. Bonds7

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

2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid (PubChem CID 82324908) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
PubChem CID82324908
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O
InChIInChI=1S/C14H17NO6/c1-9(14(19)20)15(8-7-12(16)17)13(18)10-5-3-4-6-11(10)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyQPHVOQBFKYLOET-UHFFFAOYSA-N
XLogP1.09
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324912
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
N-(2-bromoethyl)-2-methoxy-N-pentan-3-ylbenzamide
CID 80670187

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid (CID 82324908) is 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid is COc1ccccc1C(=O)N(CCC(=O)O)C(C)C(=O)O.
What is the InChIKey of 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is QPHVOQBFKYLOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-9(14(19)20)15(8-7-12(16)17)13(18)10-5-3-4-6-11(10)21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid?
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 295.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).