cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C12H21NO3 — CID 59880557

IUPACcyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)[C@@H](C=O)NC(=O)OC1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)10(8-14)13-11(15)16-9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyZSICTXPQGNBDSY-SNVBAGLBSA-N
MW227.30 g/mol
LogP2.27
Rot. Bonds3

About cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate

cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 59880557) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID59880557
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namecyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)[C@@H](C=O)NC(=O)OC1CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)10(8-14)13-11(15)16-9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyZSICTXPQGNBDSY-SNVBAGLBSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate
CID 112738864
cyclopentyl N-methylcarbamate
CID 23548767
cyclopentyl N-(2,2-dimethylpropyl)carbamate
CID 149292463
cyclobutyl N-(3-hydroxybutan-2-yl)carbamate
CID 156816485
1-[[(2S)-2-(cyclopentyloxycarbonylamino)propanoyl]amino]ethylphosphonous acid
CID 22811622
cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(methylamino)carbamate
CID 143392202
(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
CID 141217809
methyl 1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 66928828
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 162747705
N-(1-cyclopentyloxyethenyl)-3,3-dimethylbutan-2-amine
CID 142269541

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 59880557) is cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC(C)(C)[C@@H](C=O)NC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is ZSICTXPQGNBDSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)10(8-14)13-11(15)16-9-6-4-5-7-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[(2S)-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59880557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).