methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate

C11H21NO3 — CID 88946224

IUPACmethyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate
SMILESCCC[C@H](NC(=O)OC)C(=O)C(C)CC
InChIInChI=1S/C11H21NO3/c1-5-7-9(12-11(14)15-4)10(13)8(3)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyRAAUFAYYXWNIMQ-GKAPJAKFSA-N
MW215.29 g/mol
LogP2.13
Rot. Bonds6

About methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate

methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate (PubChem CID 88946224) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate
PubChem CID88946224
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate
SMILESCCC[C@H](NC(=O)OC)C(=O)C(C)CC
InChIInChI=1S/C11H21NO3/c1-5-7-9(12-11(14)15-4)10(13)8(3)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyRAAUFAYYXWNIMQ-GKAPJAKFSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate?
The IUPAC name of methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate (CID 88946224) is methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate.
What is the SMILES notation for methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate?
The canonical SMILES for methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate is CCC[C@H](NC(=O)OC)C(=O)C(C)CC.
What is the InChIKey of methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate?
The InChIKey is RAAUFAYYXWNIMQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-9(12-11(14)15-4)10(13)8(3)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate?
methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate is sourced from PubChem (CID 88946224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).