(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate

C10H19NO3 — CID 175238787

IUPAC(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C)(C)CC=O
InChIInChI=1S/C10H19NO3/c1-9(2,3)11-8(13)14-10(4,5)6-7-12/h7H,6H2,1-5H3,(H,11,13)
InChIKeyYVQHIOOIAVNGPQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds3

About (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate

(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate (PubChem CID 175238787) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate
PubChem CID175238787
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C)(C)CC=O
InChIInChI=1S/C10H19NO3/c1-9(2,3)11-8(13)14-10(4,5)6-7-12/h7H,6H2,1-5H3,(H,11,13)
InChIKeyYVQHIOOIAVNGPQ-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl] N-tert-butylcarbamate
CID 142755204
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
(1,1,1-trichloro-2-methylpropan-2-yl) N-tert-butylcarbamate
CID 58798525
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-methylhexan-2-yl N-(2-oxoethyl)carbamate
CID 138646437
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
[(Z)-4-aminobut-2-enyl] N-tert-butylcarbamate
CID 175162000
2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672155
2-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 22238457
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
3-methyl-3-[(Z)-prop-1-enoxy]butanal
CID 89353016

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate (CID 175238787) is (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(C)(C)CC=O.
What is the InChIKey of (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate?
The InChIKey is YVQHIOOIAVNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)11-8(13)14-10(4,5)6-7-12/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate?
(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175238787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).