cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate

C13H22N2O3 — CID 112738847

IUPACcyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate
SMILESO=C(CCCNC(=O)OC1CCCC1)NC1CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-10-7-8-10)6-3-9-14-13(17)18-11-4-1-2-5-11/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyONXPVTGDFQWFSN-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.71
Rot. Bonds6

About cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate

cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate (PubChem CID 112738847) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate
PubChem CID112738847
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namecyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate
SMILESO=C(CCCNC(=O)OC1CCCC1)NC1CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-10-7-8-10)6-3-9-14-13(17)18-11-4-1-2-5-11/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyONXPVTGDFQWFSN-UHFFFAOYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 112738846
N,N'-dicyclopropyldecanediamide
CID 4668836
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
cyclobutyl N-(4-methylpentyl)carbamate
CID 164797189

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate?
The IUPAC name of cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate (CID 112738847) is cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate?
The canonical SMILES for cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate is O=C(CCCNC(=O)OC1CCCC1)NC1CC1.
What is the InChIKey of cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate?
The InChIKey is ONXPVTGDFQWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(15-10-7-8-10)6-3-9-14-13(17)18-11-4-1-2-5-11/h10-11H,1-9H2,(H,14,17)(H,15,16).
What are the key properties of cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate?
cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[4-(cyclopropylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 112738847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).