2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid

C12H14ClNO4 — CID 81077193

IUPAC2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-18-7-10(12(16)17)14-11(15)6-8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyPXQINAKWKCUIHH-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.10
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid

2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid (PubChem CID 81077193) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
PubChem CID81077193
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-18-7-10(12(16)17)14-11(15)6-8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyPXQINAKWKCUIHH-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820376
(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 166903417
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
CID 81076526
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 90981057
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81080270
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
2-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084815
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
3-(4-acetyloxyphenyl)-2-[3-(4-chlorophenoxy)propanoylamino]propanoic acid
CID 108802907
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid (CID 81077193) is 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid?
The InChIKey is PXQINAKWKCUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-18-7-10(12(16)17)14-11(15)6-8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid?
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).