(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide

C14H19N3O2 — CID 22809937

IUPAC(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(15)14(19)17-9-5-8-12(17)13(18)16-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,15H2,1H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyHHOWIMFEXHLTGG-JQWIXIFHSA-N
MW261.32 g/mol
LogP0.96
Rot. Bonds3

About (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 22809937) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID22809937
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-10(15)14(19)17-9-5-8-12(17)13(18)16-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,15H2,1H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyHHOWIMFEXHLTGG-JQWIXIFHSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide 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

(2S)-1-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 11902921
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
1-[2-cyclohexyl-2-(2-methylpropanoylamino)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 91170695
methyl N-[(2S,3R)-3-methoxy-1-oxo-1-[(2S)-2-(phenylcarbamoyl)pyrrolidin-1-yl]butan-2-yl]carbamate
CID 118890438
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 11902969
1-(2-amino-3-methylbutanoyl)-N-[4-(4-bromophenyl)phenyl]pyrrolidine-2-carboxamide
CID 141292314
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
1-(2-aminopropanoyl)-N-[4-(11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 123503664
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide (CID 22809937) is (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide is C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is HHOWIMFEXHLTGG-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(15)14(19)17-9-5-8-12(17)13(18)16-11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9,15H2,1H3,(H,16,18)/t10-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).