2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide

C17H25N3O — CID 114928005

IUPAC2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H25N3O/c18-16(9-6-13-4-2-1-3-5-13)17(21)19-14-10-11-20(12-14)15-7-8-15/h1-5,14-16H,6-12,18H2,(H,19,21)
InChIKeyUOZDRLIRTVOKOK-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.30
Rot. Bonds6

About 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide (PubChem CID 114928005) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
PubChem CID114928005
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C17H25N3O/c18-16(9-6-13-4-2-1-3-5-13)17(21)19-14-10-11-20(12-14)15-7-8-15/h1-5,14-16H,6-12,18H2,(H,19,21)
InChIKeyUOZDRLIRTVOKOK-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide 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

(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 166203065
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-N-(1,1-dioxothian-3-yl)-4-phenylbutanamide
CID 104984424
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide (CID 114928005) is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The InChIKey is UOZDRLIRTVOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(9-6-13-4-2-1-3-5-13)17(21)19-14-10-11-20(12-14)15-7-8-15/h1-5,14-16H,6-12,18H2,(H,19,21).
What are the key properties of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide has a molecular weight of 287.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 114928005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).