3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid

C16H21NO4 — CID 81368722

IUPAC3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
SMILESCOc1cc(CC(=O)NC(CC(=O)O)C2CC2)ccc1C
InChIInChI=1S/C16H21NO4/c1-10-3-4-11(7-14(10)21-2)8-15(18)17-13(9-16(19)20)12-5-6-12/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKPVZXPRJPJQHPK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.92
Rot. Bonds7

About 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid

3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 81368722) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
PubChem CID81368722
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
SMILESCOc1cc(CC(=O)NC(CC(=O)O)C2CC2)ccc1C
InChIInChI=1S/C16H21NO4/c1-10-3-4-11(7-14(10)21-2)8-15(18)17-13(9-16(19)20)12-5-6-12/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKPVZXPRJPJQHPK-UHFFFAOYSA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 81362904
(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 103153347
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
3-cyclopropyl-3-[(3,5-dimethoxy-4-methylbenzoyl)amino]propanoic acid
CID 71915558
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381
N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 97006375

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid (CID 81368722) is 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid is COc1cc(CC(=O)NC(CC(=O)O)C2CC2)ccc1C.
What is the InChIKey of 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is KPVZXPRJPJQHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-3-4-11(7-14(10)21-2)8-15(18)17-13(9-16(19)20)12-5-6-12/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid?
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 81368722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).