2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid

C16H21NO3 — CID 43341227

IUPAC2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
SMILESCC(NC(=O)CCCc1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO3/c1-16(15(19)20,13-10-11-13)17-14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeySBROPKBOOTWRNN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds7

About 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid

2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid (PubChem CID 43341227) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
PubChem CID43341227
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid
SMILESCC(NC(=O)CCCc1ccccc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO3/c1-16(15(19)20,13-10-11-13)17-14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)(H,19,20)
InChIKeySBROPKBOOTWRNN-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
2,2,3-trimethyl-3-(4-phenylbutanoylamino)butanoic acid
CID 65261163
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 43360411
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
CID 97337376
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
CID 82224505

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid (CID 43341227) is 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid is CC(NC(=O)CCCc1ccccc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid?
The InChIKey is SBROPKBOOTWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(15(19)20,13-10-11-13)17-14(18)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid?
2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-phenylbutanoylamino)propanoic acid is sourced from PubChem (CID 43341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).