2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid

C19H20ClNO4 — CID 119193500

IUPAC2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1cccc(CCC(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO4/c1-25-17-4-2-3-14(11-17)7-10-18(22)21(13-19(23)24)12-15-5-8-16(20)9-6-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,23,24)
InChIKeyBZUNZBGKDBIBOP-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.39
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid

2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid (PubChem CID 119193500) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
PubChem CID119193500
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1cccc(CCC(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO4/c1-25-17-4-2-3-14(11-17)7-10-18(22)21(13-19(23)24)12-15-5-8-16(20)9-6-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,23,24)
InChIKeyBZUNZBGKDBIBOP-UHFFFAOYSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]propanoyl-[(3-methoxyphenyl)methyl]amino]acetic acid
CID 124970607
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[4-chloro-N-[(3-methoxyphenyl)methyl]anilino]acetic acid
CID 39436802
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
3-[3-(3-methoxyphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119189983
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
2-[(3,5-dimethoxyphenyl)methyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120518080
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid (CID 119193500) is 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid is COc1cccc(CCC(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
The InChIKey is BZUNZBGKDBIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-25-17-4-2-3-14(11-17)7-10-18(22)21(13-19(23)24)12-15-5-8-16(20)9-6-15/h2-6,8-9,11H,7,10,12-13H2,1H3,(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid?
2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid has a molecular weight of 361.83 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119193500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).