1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

C13H17N3O2 — CID 95985030

IUPAC1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESO=C1C[C@@H](NC(=O)NCCc2ccccc2)CN1
InChIInChI=1S/C13H17N3O2/c17-12-8-11(9-15-12)16-13(18)14-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H2,14,16,18)/t11-/m1/s1
InChIKeyGLVRSIUPBBMLOU-LLVKDONJSA-N
MW247.30 g/mol
LogP0.42
Rot. Bonds4

About 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (PubChem CID 95985030) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
PubChem CID95985030
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESO=C1C[C@@H](NC(=O)NCCc2ccccc2)CN1
InChIInChI=1S/C13H17N3O2/c17-12-8-11(9-15-12)16-13(18)14-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H2,14,16,18)/t11-/m1/s1
InChIKeyGLVRSIUPBBMLOU-LLVKDONJSA-N
XLogP0.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 94796717
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 71789120
5-(2-phenylethylamino)piperidin-2-one
CID 63661902
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (CID 95985030) is 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is O=C1C[C@@H](NC(=O)NCCc2ccccc2)CN1.
What is the InChIKey of 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The InChIKey is GLVRSIUPBBMLOU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-8-11(9-15-12)16-13(18)14-7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H2,14,16,18)/t11-/m1/s1.
What are the key properties of 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea has a molecular weight of 247.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 95985030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).