2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid

C16H21NO3 — CID 43360529

IUPAC2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
SMILESCc1ccc(CCC(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-11-3-5-12(6-4-11)7-10-14(18)17-16(2,15(19)20)13-8-9-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGEONXEHYPBJYDX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.30
Rot. Bonds6

About 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid (PubChem CID 43360529) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
PubChem CID43360529
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
SMILESCc1ccc(CCC(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H21NO3/c1-11-3-5-12(6-4-11)7-10-14(18)17-16(2,15(19)20)13-8-9-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGEONXEHYPBJYDX-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
CID 43341227
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
CID 97337376
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119574022
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(4-methylphenyl)pentanamide;hydrochloride
CID 119572987
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
CID 43341278
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid (CID 43360529) is 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid is Cc1ccc(CCC(=O)NC(C)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid?
The InChIKey is GEONXEHYPBJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-3-5-12(6-4-11)7-10-14(18)17-16(2,15(19)20)13-8-9-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43360529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).