methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate

C10H16BrNO3 — CID 104701922

IUPACmethyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate
SMILESCOC(=O)NC1CCCC1(C)C(=O)CBr
InChIInChI=1S/C10H16BrNO3/c1-10(8(13)6-11)5-3-4-7(10)12-9(14)15-2/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyIAFUJUQZDDXMSO-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.87
Rot. Bonds3

About methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate

methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate (PubChem CID 104701922) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate
PubChem CID104701922
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Namemethyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate
SMILESCOC(=O)NC1CCCC1(C)C(=O)CBr
InChIInChI=1S/C10H16BrNO3/c1-10(8(13)6-11)5-3-4-7(10)12-9(14)15-2/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyIAFUJUQZDDXMSO-UHFFFAOYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760507
N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide
CID 104701916
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762630
2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 102699709
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764156

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate?
The IUPAC name of methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate (CID 104701922) is methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate?
The canonical SMILES for methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate is COC(=O)NC1CCCC1(C)C(=O)CBr.
What is the InChIKey of methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate?
The InChIKey is IAFUJUQZDDXMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-10(8(13)6-11)5-3-4-7(10)12-9(14)15-2/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate?
methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate has a molecular weight of 278.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate is sourced from PubChem (CID 104701922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).