(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide

C15H23N3O — CID 107568445

IUPAC(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-2-7-12(16)15(19)17-13-8-3-4-9-14(13)18-10-5-6-11-18/h3-4,8-9,12H,2,5-7,10-11,16H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyYHCGTIXFZGBPDN-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide

(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 107568445) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID107568445
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-2-7-12(16)15(19)17-13-8-3-4-9-14(13)18-10-5-6-11-18/h3-4,8-9,12H,2,5-7,10-11,16H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyYHCGTIXFZGBPDN-LBPRGKRZSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide 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

2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119853033
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide (CID 107568445) is (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is YHCGTIXFZGBPDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-7-12(16)15(19)17-13-8-3-4-9-14(13)18-10-5-6-11-18/h3-4,8-9,12H,2,5-7,10-11,16H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide?
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 261.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 107568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).