1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea

C15H21N3O3 — CID 94783682

IUPAC1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)CN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-11-4-6-12(7-5-11)17-15(21)16-9-13(19)10-18-8-2-3-14(18)20/h4-7,13,19H,2-3,8-10H2,1H3,(H2,16,17,21)/t13-/m1/s1
InChIKeyOXSPXVKGRVLCOY-CYBMUJFWSA-N
MW291.35 g/mol
LogP1.10
Rot. Bonds5

About 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea

1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea (PubChem CID 94783682) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
PubChem CID94783682
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)CN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-11-4-6-12(7-5-11)17-15(21)16-9-13(19)10-18-8-2-3-14(18)20/h4-7,13,19H,2-3,8-10H2,1H3,(H2,16,17,21)/t13-/m1/s1
InChIKeyOXSPXVKGRVLCOY-CYBMUJFWSA-N
XLogP1.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
CID 97065331
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78887435
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(4-methylphenyl)urea
CID 17469528
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
CID 44527624
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 96525589
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea (CID 94783682) is 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC[C@@H](O)CN2CCCC2=O)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea?
The InChIKey is OXSPXVKGRVLCOY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-6-12(7-5-11)17-15(21)16-9-13(19)10-18-8-2-3-14(18)20/h4-7,13,19H,2-3,8-10H2,1H3,(H2,16,17,21)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea?
1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea has a molecular weight of 291.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 94783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).