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

C13H15NO5 — CID 82324506

IUPAC2-[benzoyl(2-carboxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C13H15NO5/c1-9(13(18)19)14(8-7-11(15)16)12(17)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFXXDPMMUSACTPR-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.08
Rot. Bonds6

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

2-[benzoyl(2-carboxyethyl)amino]propanoic acid (PubChem CID 82324506) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[benzoyl(2-carboxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[benzoyl(2-carboxyethyl)amino]propanoic acid
PubChem CID82324506
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[benzoyl(2-carboxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C13H15NO5/c1-9(13(18)19)14(8-7-11(15)16)12(17)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFXXDPMMUSACTPR-UHFFFAOYSA-N
XLogP1.08
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
CID 82324538
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
CID 91902584
3-[[3-(benzenesulfonamido)benzoyl]-propan-2-ylamino]propanoic acid
CID 119206826
2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 71201883

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(2-carboxyethyl)amino]propanoic acid?
The IUPAC name of 2-[benzoyl(2-carboxyethyl)amino]propanoic acid (CID 82324506) is 2-[benzoyl(2-carboxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-[benzoyl(2-carboxyethyl)amino]propanoic acid?
The canonical SMILES for 2-[benzoyl(2-carboxyethyl)amino]propanoic acid is CC(C(=O)O)N(CCC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-[benzoyl(2-carboxyethyl)amino]propanoic acid?
The InChIKey is FXXDPMMUSACTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-9(13(18)19)14(8-7-11(15)16)12(17)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[benzoyl(2-carboxyethyl)amino]propanoic acid?
2-[benzoyl(2-carboxyethyl)amino]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(2-carboxyethyl)amino]propanoic acid is sourced from PubChem (CID 82324506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).