2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid

C16H21NO4 — CID 119203577

IUPAC2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
SMILESCOc1ccc(C(C)C(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-10(12-4-8-14(21-3)9-5-12)15(18)17(13-6-7-13)11(2)16(19)20/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,20)
InChIKeyGSIRHKBOUBXMJF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid

2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid (PubChem CID 119203577) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
PubChem CID119203577
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid
SMILESCOc1ccc(C(C)C(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-10(12-4-8-14(21-3)9-5-12)15(18)17(13-6-7-13)11(2)16(19)20/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,20)
InChIKeyGSIRHKBOUBXMJF-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]propanoic acid
CID 120686387
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
CID 119202322
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
CID 55594655
(2S)-N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 163312810
2-[2-methoxyethyl-[2-(4-methoxyphenyl)propanoyl]amino]acetic acid
CID 119189812
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid (CID 119203577) is 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid is COc1ccc(C(C)C(=O)N(C2CC2)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid?
The InChIKey is GSIRHKBOUBXMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(12-4-8-14(21-3)9-5-12)15(18)17(13-6-7-13)11(2)16(19)20/h4-5,8-11,13H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-methoxyphenyl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119203577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).