(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide

C14H21N3O — CID 78985707

IUPAC(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-17-8-7-12(10-17)16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyDMAVTOSTYANINQ-ZGTCLIOFSA-N
MW247.34 g/mol
LogP0.38
Rot. Bonds4

About (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide

(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide (PubChem CID 78985707) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
PubChem CID78985707
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c1-17-8-7-12(10-17)16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyDMAVTOSTYANINQ-ZGTCLIOFSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide 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)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465060
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119831669
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide (CID 78985707) is (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide is CN1CCC(NC(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide?
The InChIKey is DMAVTOSTYANINQ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-8-7-12(10-17)16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide?
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 78985707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).