methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate

C10H19NO4 — CID 134568233

IUPACmethyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(C)=O)[C@@H](OC)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(14-4)8(7(3)12)11-10(13)15-5/h6,8-9H,1-5H3,(H,11,13)/t8-,9+/m1/s1
InChIKeyGMCKRTCFHOXENB-BDAKNGLRSA-N
MW217.26 g/mol
LogP0.97
Rot. Bonds5

About methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate

methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate (PubChem CID 134568233) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate
PubChem CID134568233
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(C)=O)[C@@H](OC)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(14-4)8(7(3)12)11-10(13)15-5/h6,8-9H,1-5H3,(H,11,13)/t8-,9+/m1/s1
InChIKeyGMCKRTCFHOXENB-BDAKNGLRSA-N
XLogP0.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2S,3S)-2-methoxy-4-oxopentan-3-yl]carbamate
CID 87502135
4-methoxy-3,5-dimethylhexan-2-one
CID 58201940
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
CID 130457173
methyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 88887792
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
methyl N-[(3S)-2-methoxy-5,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 130396767
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate?
The IUPAC name of methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate (CID 134568233) is methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate?
The canonical SMILES for methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate is COC(=O)N[C@H](C(C)=O)[C@@H](OC)C(C)C.
What is the InChIKey of methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate?
The InChIKey is GMCKRTCFHOXENB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)9(14-4)8(7(3)12)11-10(13)15-5/h6,8-9H,1-5H3,(H,11,13)/t8-,9+/m1/s1.
What are the key properties of methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate?
methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3S,4S)-4-methoxy-5-methyl-2-oxohexan-3-yl]carbamate is sourced from PubChem (CID 134568233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).