3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid

C16H21NO4 — CID 120689532

IUPAC3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
SMILESCOc1c(C)cc(C(=O)NC(CC2CC2)C(=O)O)cc1C
InChIInChI=1S/C16H21NO4/c1-9-6-12(7-10(2)14(9)21-3)15(18)17-13(16(19)20)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJHKJISILMKAYRV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds6

About 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid

3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid (PubChem CID 120689532) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
PubChem CID120689532
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
SMILESCOc1c(C)cc(C(=O)NC(CC2CC2)C(=O)O)cc1C
InChIInChI=1S/C16H21NO4/c1-9-6-12(7-10(2)14(9)21-3)15(18)17-13(16(19)20)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJHKJISILMKAYRV-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide
CID 143001988
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 87850224
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
3-cyclopropyl-2-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120535785
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid (CID 120689532) is 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid is COc1c(C)cc(C(=O)NC(CC2CC2)C(=O)O)cc1C.
What is the InChIKey of 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid?
The InChIKey is JHKJISILMKAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-9-6-12(7-10(2)14(9)21-3)15(18)17-13(16(19)20)8-11-4-5-11/h6-7,11,13H,4-5,8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid?
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 120689532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).