cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate

C12H22N2O3 — CID 112738864

IUPACcyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
SMILESCC(C)NC(=O)C(C)NC(=O)OC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)13-11(15)9(3)14-12(16)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYEPIIHWBUBUJHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds4

About cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate

cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate (PubChem CID 112738864) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
PubChem CID112738864
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
SMILESCC(C)NC(=O)C(C)NC(=O)OC1CCCC1
InChIInChI=1S/C12H22N2O3/c1-8(2)13-11(15)9(3)14-12(16)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYEPIIHWBUBUJHD-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
CID 22811622
cyclobutyl N-(3-hydroxybutan-2-yl)carbamate
CID 156816485
cyclopentyl N-methylcarbamate
CID 23548767
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59880557
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
(3-aminocyclopentyl) N-propan-2-ylcarbamate
CID 79465230
cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(methylamino)carbamate
CID 143392202
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate (CID 112738864) is cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate is CC(C)NC(=O)C(C)NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is YEPIIHWBUBUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)13-11(15)9(3)14-12(16)17-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate?
cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 112738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).