tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate

C10H19NO3 — CID 58615440

IUPACtert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyCFORFMMZIWVIGH-MRVPVSSYSA-N
MW201.27 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate

tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate (PubChem CID 58615440) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate
PubChem CID58615440
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyCFORFMMZIWVIGH-MRVPVSSYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-((2S)-1-oxobutan-2-yl)carbamate
CID 10241556
tert-butyl N-methyl-N-(3-oxopropyl)carbamate
CID 10442454
tert-butyl N-methyl-N-(2-oxoethyl)carbamate
CID 10725881
tert-butyl N-(1-oxobutan-2-yl)carbamate
CID 11286906
tert-Butyl methyl(4-oxobutyl)carbamate
CID 15078448
tert-Butyl 2-formylazetidine-1-carboxylate
CID 19790878
di-tert-Butyl 2-oxoethyliminodicarboxylate
CID 21077911
tert-butyl N-tert-butyl-N-(2-oxoethyl)carbamate
CID 21955213
tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
CID 71757843
tert-butyl N-((2R)-1-oxobutan-2-yl)carbamate
CID 86671313
Carbamic acid, (2,2-dimethyl-3-oxopropyl)methyl-, 1,1-dimethylethyl ester
CID 87918870
tert-butyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 88171806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate (CID 58615440) is tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate is CC[C@H](C=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate?
The InChIKey is CFORFMMZIWVIGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-8(7-12)11(5)9(13)14-10(2,3)4/h7-8H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2R)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 58615440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).