[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea

C18H27N3O2 — CID 97225022

IUPAC[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
SMILESCCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-4-7-16(20-18(19)23)17(22)21-11-14(10-13(21)3)15-9-6-5-8-12(15)2/h5-6,8-9,13-14,16H,4,7,10-11H2,1-3H3,(H3,19,20,23)/t13-,14+,16+/m0/s1
InChIKeyZQMLOSIPGVRJOR-SQWLQELKSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds5

About [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea

[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea (PubChem CID 97225022) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
PubChem CID97225022
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
SMILESCCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-4-7-16(20-18(19)23)17(22)21-11-14(10-13(21)3)15-9-6-5-8-12(15)2/h5-6,8-9,13-14,16H,4,7,10-11H2,1-3H3,(H3,19,20,23)/t13-,14+,16+/m0/s1
InChIKeyZQMLOSIPGVRJOR-SQWLQELKSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea 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-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 119331256
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
(2S)-2-amino-1-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124688046
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
(2R)-2-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124829667
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
CID 122039850
2-(4-aminophenyl)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124595059
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
2-(4-aminophenyl)-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119042669

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea?
The IUPAC name of [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea (CID 97225022) is [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea is CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C.
What is the InChIKey of [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea?
The InChIKey is ZQMLOSIPGVRJOR-SQWLQELKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-7-16(20-18(19)23)17(22)21-11-14(10-13(21)3)15-9-6-5-8-12(15)2/h5-6,8-9,13-14,16H,4,7,10-11H2,1-3H3,(H3,19,20,23)/t13-,14+,16+/m0/s1.
What are the key properties of [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea?
[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea is sourced from PubChem (CID 97225022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).