benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate

C14H19NO3 — CID 57287930

IUPACbenzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
SMILESC[C@]1(NC(=O)OCc2ccccc2)CCCC1O
InChIInChI=1S/C14H19NO3/c1-14(9-5-8-12(14)16)15-13(17)18-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12?,14-/m0/s1
InChIKeyKVMXQJQTOXGYOT-PYMCNQPYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds3

About benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate

benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate (PubChem CID 57287930) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
PubChem CID57287930
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
SMILESC[C@]1(NC(=O)OCc2ccccc2)CCCC1O
InChIInChI=1S/C14H19NO3/c1-14(9-5-8-12(14)16)15-13(17)18-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12?,14-/m0/s1
InChIKeyKVMXQJQTOXGYOT-PYMCNQPYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-methyl-3-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 122514592
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 131741828
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
methyl 3-(aminomethyl)-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 117272484
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428
trans-methyl (4R,5R)-4,5-dimethoxy-1-(phenylmethoxycarbonylamino)cycloheptane-1-carboxylate
CID 23629479
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
CID 59454089
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate (CID 57287930) is benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate is C[C@]1(NC(=O)OCc2ccccc2)CCCC1O.
What is the InChIKey of benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate?
The InChIKey is KVMXQJQTOXGYOT-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(9-5-8-12(14)16)15-13(17)18-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12?,14-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate?
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate is sourced from PubChem (CID 57287930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).