1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea

C15H19N3O2 — CID 99847107

IUPAC1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
SMILESC[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccccc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-10-7-13(10)18-9-12(8-14(18)19)17-15(20)16-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,20)/t10-,12+,13+/m1/s1
InChIKeyULKUFORYWZWITF-WXHSDQCUSA-N
MW273.34 g/mol
LogP1.82
Rot. Bonds3

About 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea

1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea (PubChem CID 99847107) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
PubChem CID99847107
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
SMILESC[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccccc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-10-7-13(10)18-9-12(8-14(18)19)17-15(20)16-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,20)/t10-,12+,13+/m1/s1
InChIKeyULKUFORYWZWITF-WXHSDQCUSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
1-(4-bromophenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513457
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
5-[[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 119187118
1-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71924001
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 100862018

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea?
The IUPAC name of 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea (CID 99847107) is 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea is C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccccc2)CC1=O.
What is the InChIKey of 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea?
The InChIKey is ULKUFORYWZWITF-WXHSDQCUSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-7-13(10)18-9-12(8-14(18)19)17-15(20)16-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H2,16,17,20)/t10-,12+,13+/m1/s1.
What are the key properties of 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea?
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea has a molecular weight of 273.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea is sourced from PubChem (CID 99847107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).