N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride

C15H22ClN3O2 — CID 119412143

IUPACN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(2)14(19)17-13-5-3-11(4-6-13)15(20)18-8-7-12(16)9-18;/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,19);1H/t12-;/m1./s1
InChIKeyNVMCRVSDBNGJGL-UTONKHPSSA-N
MW311.81 g/mol
LogP1.88
Rot. Bonds3

About N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride

N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119412143) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID119412143
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(2)14(19)17-13-5-3-11(4-6-13)15(20)18-8-7-12(16)9-18;/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,19);1H/t12-;/m1./s1
InChIKeyNVMCRVSDBNGJGL-UTONKHPSSA-N
XLogP1.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride 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

1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
2-methyl-N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120997281
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 119413263
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119376973
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide;hydrochloride
CID 119409958
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride (CID 119412143) is N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is NVMCRVSDBNGJGL-UTONKHPSSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10(2)14(19)17-13-5-3-11(4-6-13)15(20)18-8-7-12(16)9-18;/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,19);1H/t12-;/m1./s1.
What are the key properties of N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride?
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119412143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).