1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

C14H21ClN4O2 — CID 119411142

IUPAC1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-10(13(19)18-8-7-11(15)9-18)16-14(20)17-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,15H2,1H3,(H2,16,17,20);1H/t10?,11-;/m1./s1
InChIKeyCJUWHXMCFFVTIT-PSDUUTOMSA-N
MW312.80 g/mol
LogP1.18
Rot. Bonds3

About 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride

1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (PubChem CID 119411142) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
PubChem CID119411142
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-10(13(19)18-8-7-11(15)9-18)16-14(20)17-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,15H2,1H3,(H2,16,17,20);1H/t10?,11-;/m1./s1
InChIKeyCJUWHXMCFFVTIT-PSDUUTOMSA-N
XLogP1.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;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-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119544632
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119544633
1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119623367
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
1-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120742180
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The IUPAC name of 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride (CID 119411142) is 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride.
What is the SMILES notation for 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The canonical SMILES for 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is CC(NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
The InChIKey is CJUWHXMCFFVTIT-PSDUUTOMSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c1-10(13(19)18-8-7-11(15)9-18)16-14(20)17-12-5-3-2-4-6-12;/h2-6,10-11H,7-9,15H2,1H3,(H2,16,17,20);1H/t10?,11-;/m1./s1.
What are the key properties of 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride?
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride is sourced from PubChem (CID 119411142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).