3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid

C16H21NO3 — CID 81361645

IUPAC3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C16H21NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14(11-16(19)20)13-9-10-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,18)(H,19,20)
InChIKeyOIRCQTNOIZRMND-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds8

About 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid

3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid (PubChem CID 81361645) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
PubChem CID81361645
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C16H21NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14(11-16(19)20)13-9-10-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,18)(H,19,20)
InChIKeyOIRCQTNOIZRMND-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
CID 119796894
3-[(2-benzamidoacetyl)amino]-3-cyclopropylpropanoic acid
CID 81368878
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
3-(5-aminohexanoylamino)-3-cyclopropylpropanoic acid
CID 82853423
(3S)-3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 93481104
3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 22309390
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 91417454
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid (CID 81361645) is 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid is O=C(O)CC(NC(=O)CCCc1ccccc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid?
The InChIKey is OIRCQTNOIZRMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(8-4-7-12-5-2-1-3-6-12)17-14(11-16(19)20)13-9-10-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,18)(H,19,20).
What are the key properties of 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid?
3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-phenylbutanoylamino)propanoic acid is sourced from PubChem (CID 81361645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).