2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid

C12H14ClNO4 — CID 82043100

IUPAC2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccc(Cl)cc1CCC(=O)NCC(=O)O
InChIInChI=1S/C12H14ClNO4/c1-18-10-4-3-9(13)6-8(10)2-5-11(15)14-7-12(16)17/h3-4,6H,2,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMFVIELRIKGAZAE-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.48
Rot. Bonds6

About 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid

2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid (PubChem CID 82043100) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
PubChem CID82043100
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccc(Cl)cc1CCC(=O)NCC(=O)O
InChIInChI=1S/C12H14ClNO4/c1-18-10-4-3-9(13)6-8(10)2-5-11(15)14-7-12(16)17/h3-4,6H,2,5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMFVIELRIKGAZAE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
N-[2-(5-chloro-2-methoxyphenyl)ethyl]pentanamide
CID 110787710
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
3-[2-(5-chloro-2-methoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 139017041
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid (CID 82043100) is 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid is COc1ccc(Cl)cc1CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid?
The InChIKey is MFVIELRIKGAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-18-10-4-3-9(13)6-8(10)2-5-11(15)14-7-12(16)17/h3-4,6H,2,5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid?
2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid has a molecular weight of 271.70 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 82043100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).