methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate

C12H21NO3 — CID 130410398

IUPACmethyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate
SMILESCCC(C)C(=O)C1(NC(=O)OC)CCCC1
InChIInChI=1S/C12H21NO3/c1-4-9(2)10(14)12(7-5-6-8-12)13-11(15)16-3/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyHURGTHBRZQOHBC-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.27
Rot. Bonds4

About methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate

methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate (PubChem CID 130410398) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate
PubChem CID130410398
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate
SMILESCCC(C)C(=O)C1(NC(=O)OC)CCCC1
InChIInChI=1S/C12H21NO3/c1-4-9(2)10(14)12(7-5-6-8-12)13-11(15)16-3/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyHURGTHBRZQOHBC-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
CID 130457162
methyl N-(1-carbonochloridoylcyclohexyl)carbamate
CID 88817700
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
methyl (3S)-3-[[(2S)-2-methylbutanoyl]amino]thiolane-3-carboxylate
CID 97246767
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate?
The IUPAC name of methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate (CID 130410398) is methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate?
The canonical SMILES for methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate is CCC(C)C(=O)C1(NC(=O)OC)CCCC1.
What is the InChIKey of methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate?
The InChIKey is HURGTHBRZQOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-9(2)10(14)12(7-5-6-8-12)13-11(15)16-3/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate?
methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate is sourced from PubChem (CID 130410398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).