1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea

C16H21N3O2 — CID 95051231

IUPAC1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CCCC1)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O2/c20-15-14(18-16(21)17-12-6-4-5-7-12)10-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2,(H2,17,18,21)/t14-/m0/s1
InChIKeyQRSGJDUEEFAMDZ-AWEZNQCLSA-N
MW287.36 g/mol
LogP2.03
Rot. Bonds3

About 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea

1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95051231) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID95051231
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(NC1CCCC1)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O2/c20-15-14(18-16(21)17-12-6-4-5-7-12)10-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2,(H2,17,18,21)/t14-/m0/s1
InChIKeyQRSGJDUEEFAMDZ-AWEZNQCLSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003178
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea (CID 95051231) is 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea is O=C(NC1CCCC1)N[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is QRSGJDUEEFAMDZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-14(18-16(21)17-12-6-4-5-7-12)10-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,12,14H,4-7,10-11H2,(H2,17,18,21)/t14-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 287.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95051231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).