[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate

C11H21NO3 — CID 155600204

IUPAC[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate
SMILESCC(=O)[C@@H](CC(C)(C)OC(N)=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(8(3)13)6-11(4,5)15-10(12)14/h7,9H,6H2,1-5H3,(H2,12,14)/t9-/m0/s1
InChIKeyUKXUHQFHMXKJSQ-VIFPVBQESA-N
MW215.29 g/mol
LogP2.11
Rot. Bonds5

About [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate

[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate (PubChem CID 155600204) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate
PubChem CID155600204
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate
SMILESCC(=O)[C@@H](CC(C)(C)OC(N)=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)9(8(3)13)6-11(4,5)15-10(12)14/h7,9H,6H2,1-5H3,(H2,12,14)/t9-/m0/s1
InChIKeyUKXUHQFHMXKJSQ-VIFPVBQESA-N
XLogP2.11
TPSA69.39 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] 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

(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
2,3-dimethylbutan-2-yl carbamate
CID 20975410
2,5-dimethylheptan-2-yl carbamate
CID 123535810
(2-methyl-1-nitrosopropan-2-yl) carbamate
CID 118038589
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
[2,6-dimethyl-4-[(3R)-3-methyloxirane-2-carbonyl]heptan-2-yl] carbamate
CID 174753969
[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
CID 170203157
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate?
The IUPAC name of [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate (CID 155600204) is [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate.
What is the SMILES notation for [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate?
The canonical SMILES for [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate is CC(=O)[C@@H](CC(C)(C)OC(N)=O)C(C)C.
What is the InChIKey of [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate?
The InChIKey is UKXUHQFHMXKJSQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)9(8(3)13)6-11(4,5)15-10(12)14/h7,9H,6H2,1-5H3,(H2,12,14)/t9-/m0/s1.
What are the key properties of [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate?
[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate is sourced from PubChem (CID 155600204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).