methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate

C8H15NO3 — CID 59264493

IUPACmethyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(10)6(3)9-8(11)12-4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyCBQKVUCZTIKYKI-LURJTMIESA-N
MW173.21 g/mol
LogP0.96
Rot. Bonds3

About methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate

methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate (PubChem CID 59264493) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
PubChem CID59264493
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(10)6(3)9-8(11)12-4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1
InChIKeyCBQKVUCZTIKYKI-LURJTMIESA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
tert-butyl N-(4-methoxy-3-oxopentan-2-yl)carbamate
CID 164707019
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
methyl N-[(2S,3S,5S)-2-hydroxy-4-oxo-5-sulfanylhexan-3-yl]carbamate
CID 153093857
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate (CID 59264493) is methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate is COC(=O)N[C@@H](C)C(=O)C(C)C.
What is the InChIKey of methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate?
The InChIKey is CBQKVUCZTIKYKI-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7(10)6(3)9-8(11)12-4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1.
What are the key properties of methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate?
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.96, 3 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-oxopentan-2-yl]carbamate is sourced from PubChem (CID 59264493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).