(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide

C14H17N3O — CID 106384850

IUPAC(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c15-13(8-11-4-2-1-3-5-11)14(18)17-10-12-6-7-16-9-12/h1-7,9,13,16H,8,10,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGSVGNLVRCJEDSD-ZDUSSCGKSA-N
MW243.31 g/mol
LogP1.20
Rot. Bonds5

About (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide

(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106384850) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106384850
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c15-13(8-11-4-2-1-3-5-11)14(18)17-10-12-6-7-16-9-12/h1-7,9,13,16H,8,10,15H2,(H,17,18)/t13-/m0/s1
InChIKeyGSVGNLVRCJEDSD-ZDUSSCGKSA-N
XLogP1.20
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide 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-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
CID 106384829
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106384850) is (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH]c1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is GSVGNLVRCJEDSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13(8-11-4-2-1-3-5-11)14(18)17-10-12-6-7-16-9-12/h1-7,9,13,16H,8,10,15H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106384850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).