2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid

C12H14ClNO4 — CID 70817327

IUPAC2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
SMILESCCOCC(NC(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-2-18-7-10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyJERXYXNIRJNMMY-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.56
Rot. Bonds6

About 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid

2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid (PubChem CID 70817327) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
PubChem CID70817327
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
SMILESCCOCC(NC(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-2-18-7-10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyJERXYXNIRJNMMY-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708990
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
2-[(2,3-dichlorobenzoyl)amino]-4-oxohexanoic acid
CID 146153202
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
(2R)-2-[(3-chloro-2-nitrobenzoyl)amino]butanoic acid
CID 103804465
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
CID 69431961
2-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid (CID 70817327) is 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid is CCOCC(NC(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid?
The InChIKey is JERXYXNIRJNMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-2-18-7-10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid?
2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid is sourced from PubChem (CID 70817327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).