1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea

C18H23N3O2 — CID 96506763

IUPAC1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H23N3O2/c22-16-10-14(11-21(16)15-6-7-15)20-17(23)19-12-18(8-9-18)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,20,23)/t14-/m1/s1
InChIKeyOACXASXZBGFJEX-CQSZACIVSA-N
MW313.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 96506763) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID96506763
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H23N3O2/c22-16-10-14(11-21(16)15-6-7-15)20-17(23)19-12-18(8-9-18)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,20,23)/t14-/m1/s1
InChIKeyOACXASXZBGFJEX-CQSZACIVSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.78
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
4-[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122005360
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide
CID 154875610
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-3-prop-2-enylurea
CID 45214177
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 95985178
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 71861150
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]urea
CID 96521522
1-[(1-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 51122194

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea (CID 96506763) is 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea is O=C(NCC1(c2ccccc2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is OACXASXZBGFJEX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16-10-14(11-21(16)15-6-7-15)20-17(23)19-12-18(8-9-18)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,19,20,23)/t14-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea?
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 96506763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).