1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C15H21N3O3 — CID 7513340

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCC(C)(CO)NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c1-15(2,10-19)17-14(21)16-11-8-13(20)18(9-11)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyAPBCGBNXQYEOIZ-NSHDSACASA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds4

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513340) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513340
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCC(C)(CO)NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c1-15(2,10-19)17-14(21)16-11-8-13(20)18(9-11)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyAPBCGBNXQYEOIZ-NSHDSACASA-N
XLogP0.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564055
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7552173
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215150
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564211
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564175
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513340) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is CC(C)(CO)NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is APBCGBNXQYEOIZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,10-19)17-14(21)16-11-8-13(20)18(9-11)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H2,16,17,21)/t11-/m0/s1.
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 291.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).