tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate

C12H24N2O4 — CID 118978759

IUPACtert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCON(C)N(C(=O)OC(C)(C)C)[C@H](C=O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)10(8-15)14(13(6)17-7)11(16)18-12(3,4)5/h8-10H,1-7H3/t10-/m1/s1
InChIKeyNDCPIWKMKKSSCZ-SNVBAGLBSA-N
MW260.33 g/mol
LogP1.86
Rot. Bonds5

About tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 118978759) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID118978759
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCON(C)N(C(=O)OC(C)(C)C)[C@H](C=O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)10(8-15)14(13(6)17-7)11(16)18-12(3,4)5/h8-10H,1-7H3/t10-/m1/s1
InChIKeyNDCPIWKMKKSSCZ-SNVBAGLBSA-N
XLogP1.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
tert-butyl N-but-2-ynyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 134939991
tert-butyl N-(1,1-difluoro-3-oxopropan-2-yl)-N-methylcarbamate
CID 84725208
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721
tert-butyl N-[(2S)-3-methyl-1-oxobutan-2-yl]-N-(3-phenylprop-2-ynyl)carbamate
CID 102588529
tert-butyl N-[(E,3S)-1-cyano-4-methylpent-1-en-3-yl]-N-methylcarbamate
CID 86596606
tert-butyl N-[(3S)-6-hydroxy-2,5-dimethylhex-4-en-3-yl]-N-methylcarbamate
CID 90842401
tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
CID 89082388
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24824435
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate (CID 118978759) is tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate is CON(C)N(C(=O)OC(C)(C)C)[C@H](C=O)C(C)C.
What is the InChIKey of tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is NDCPIWKMKKSSCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)10(8-15)14(13(6)17-7)11(16)18-12(3,4)5/h8-10H,1-7H3/t10-/m1/s1.
What are the key properties of tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[methoxy(methyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 118978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).