2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid

C15H18ClNO4 — CID 120689537

IUPAC2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid
SMILESCOc1cccc(Cl)c1CC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-21-13-4-2-3-11(16)10(13)8-14(18)17-12(15(19)20)7-9-5-6-9/h2-4,9,12H,5-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyBXNUMGFWTPFLCF-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.26
Rot. Bonds7

About 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid

2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid (PubChem CID 120689537) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid
PubChem CID120689537
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid
SMILESCOc1cccc(Cl)c1CC(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C15H18ClNO4/c1-21-13-4-2-3-11(16)10(13)8-14(18)17-12(15(19)20)7-9-5-6-9/h2-4,9,12H,5-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyBXNUMGFWTPFLCF-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
trans-(1R,3R)-3-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
CID 99714639
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid
CID 107567819
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-3-cyclopropylpropanoic acid
CID 120535892
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid?
The IUPAC name of 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid (CID 120689537) is 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid is COc1cccc(Cl)c1CC(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid?
The InChIKey is BXNUMGFWTPFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-21-13-4-2-3-11(16)10(13)8-14(18)17-12(15(19)20)7-9-5-6-9/h2-4,9,12H,5-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid?
2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid has a molecular weight of 311.76 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 120689537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).