methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate

C9H17NO3 — CID 58257381

IUPACmethyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
SMILESCOC(=O)N[C@@H](C(C)=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(11)7(9(2,3)4)10-8(12)13-5/h7H,1-5H3,(H,10,12)/t7-/m0/s1
InChIKeyFBINZGLGIAVDJE-ZETCQYMHSA-N
MW187.24 g/mol
LogP1.35
Rot. Bonds2

About methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate

methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate (PubChem CID 58257381) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
PubChem CID58257381
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
SMILESCOC(=O)N[C@@H](C(C)=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(11)7(9(2,3)4)10-8(12)13-5/h7H,1-5H3,(H,10,12)/t7-/m0/s1
InChIKeyFBINZGLGIAVDJE-ZETCQYMHSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
CID 27282404
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
tert-butyl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
CID 123936360
pent-4-enyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate
CID 90718050
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
CID 158863781
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate?
The IUPAC name of methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate (CID 58257381) is methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate is COC(=O)N[C@@H](C(C)=O)C(C)(C)C.
What is the InChIKey of methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate?
The InChIKey is FBINZGLGIAVDJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(11)7(9(2,3)4)10-8(12)13-5/h7H,1-5H3,(H,10,12)/t7-/m0/s1.
What are the key properties of methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate?
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate is sourced from PubChem (CID 58257381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).