methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate

C11H21NO3 — CID 163903219

IUPACmethyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
SMILESCOC(=O)NC[C@@H](C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(10(13)8(3)4)6-12-11(14)15-5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyQLRHEPKRIMKOFT-SECBINFHSA-N
MW215.29 g/mol
LogP1.84
Rot. Bonds5

About methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate

methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate (PubChem CID 163903219) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
PubChem CID163903219
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
SMILESCOC(=O)NC[C@@H](C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(10(13)8(3)4)6-12-11(14)15-5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyQLRHEPKRIMKOFT-SECBINFHSA-N
XLogP1.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate
CID 59615802
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 158817898
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
methyl N-[(2S)-2-(dibenzylamino)-3-methylbutyl]carbamate
CID 15781131
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate?
The IUPAC name of methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate (CID 163903219) is methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate?
The canonical SMILES for methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate is COC(=O)NC[C@@H](C(=O)C(C)C)C(C)C.
What is the InChIKey of methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate?
The InChIKey is QLRHEPKRIMKOFT-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)9(10(13)8(3)4)6-12-11(14)15-5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1.
What are the key properties of methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate?
methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate is sourced from PubChem (CID 163903219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).