[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate

C12H22N2O3 — CID 175536738

IUPAC[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate
SMILESCNC(=O)[C@H](CCCC1CCCC1)OC(N)=O
InChIInChI=1S/C12H22N2O3/c1-14-11(15)10(17-12(13)16)8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,13,16)(H,14,15)/t10-/m0/s1
InChIKeyXDKRELXFQAVXOR-JTQLQIEISA-N
MW242.32 g/mol
LogP1.56
Rot. Bonds6

About [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate

[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate (PubChem CID 175536738) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate
PubChem CID175536738
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate
SMILESCNC(=O)[C@H](CCCC1CCCC1)OC(N)=O
InChIInChI=1S/C12H22N2O3/c1-14-11(15)10(17-12(13)16)8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,13,16)(H,14,15)/t10-/m0/s1
InChIKeyXDKRELXFQAVXOR-JTQLQIEISA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 166553850
4-methylpentylcyclopentane
CID 523530
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
2-(2-cyclopentylethylamino)-N-methylpropanamide
CID 60919372
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
2-cyclopentylethyl methyl carbonate
CID 66771150
ethyl 2-acetyl-5-cyclohexylpentanoate
CID 18370639
tert-butyl N-[5-(4-hydroxycyclohexyl)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 175536770
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The IUPAC name of [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate (CID 175536738) is [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate is CNC(=O)[C@H](CCCC1CCCC1)OC(N)=O.
What is the InChIKey of [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate?
The InChIKey is XDKRELXFQAVXOR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14-11(15)10(17-12(13)16)8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3,(H2,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate?
[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175536738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).