benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid

C15H18N2O3 — CID 118454651

IUPACbenzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H18N2O3/c18-14-8-13(10-16(14)12-6-7-12)17(15(19)20)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)
InChIKeyQOBOJUKAYZMCBG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.93
Rot. Bonds4

About benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid

benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid (PubChem CID 118454651) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid
PubChem CID118454651
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namebenzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H18N2O3/c18-14-8-13(10-16(14)12-6-7-12)17(15(19)20)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)
InChIKeyQOBOJUKAYZMCBG-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl(piperidin-4-yl)carbamic acid
CID 54298382
benzyl-(5-oxooxolan-3-yl)carbamic acid
CID 53414136
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
(3R)-N,N-dibenzyl-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97015464
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 175352896
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
benzyl-(5-oxooxan-3-yl)carbamic acid
CID 175344374
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457

Frequently Asked Questions

What is the IUPAC name of benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid?
The IUPAC name of benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid (CID 118454651) is benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid?
The canonical SMILES for benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid is O=C(O)N(Cc1ccccc1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid?
The InChIKey is QOBOJUKAYZMCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-8-13(10-16(14)12-6-7-12)17(15(19)20)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20).
What are the key properties of benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid?
benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid has a molecular weight of 274.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 118454651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).