1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

C15H21N3O2S — CID 97096469

IUPAC1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-2-12(13-4-3-7-21-13)17-15(20)16-10-8-14(19)18(9-10)11-5-6-11/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,16,17,20)/t10-,12+/m1/s1
InChIKeyUMPIRJMXXVGCNL-PWSUYJOCSA-N
MW307.42 g/mol
LogP2.26
Rot. Bonds5

About 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (PubChem CID 97096469) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
PubChem CID97096469
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-2-12(13-4-3-7-21-13)17-15(20)16-10-8-14(19)18(9-10)11-5-6-11/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,16,17,20)/t10-,12+/m1/s1
InChIKeyUMPIRJMXXVGCNL-PWSUYJOCSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 96527660
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]urea
CID 96527501
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 96979438
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71924034
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86820342
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (CID 97096469) is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1.
What is the InChIKey of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The InChIKey is UMPIRJMXXVGCNL-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-12(13-4-3-7-21-13)17-15(20)16-10-8-14(19)18(9-10)11-5-6-11/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H2,16,17,20)/t10-,12+/m1/s1.
What are the key properties of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea has a molecular weight of 307.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).