tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate

C11H21NO3 — CID 98041193

IUPACtert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
SMILESCC(C)[C@@H](C=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)9(7-13)6-12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyFCTUHRCTKMXYGY-SECBINFHSA-N
MW215.29 g/mol
LogP1.98
Rot. Bonds4

About tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate

tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate (PubChem CID 98041193) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
PubChem CID98041193
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
SMILESCC(C)[C@@H](C=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8(2)9(7-13)6-12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyFCTUHRCTKMXYGY-SECBINFHSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.98
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-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-(2-hydroxy-3-oxopropyl)carbamate;methoxymethane
CID 142468263
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate (CID 98041193) is tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate is CC(C)[C@@H](C=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate?
The InChIKey is FCTUHRCTKMXYGY-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)9(7-13)6-12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate?
tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate is sourced from PubChem (CID 98041193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).