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

C11H21NO3 — CID 143576868

IUPACtert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate
SMILESCCC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-9(8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyKVHNUBYUKJEAAN-SECBINFHSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds4

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

tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate (PubChem CID 143576868) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate
PubChem CID143576868
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate
SMILESCCC[C@H](C=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-9(8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyKVHNUBYUKJEAAN-SECBINFHSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-methyl-N-(1-oxopent-4-en-2-yl)carbamate
CID 72647061
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-methyl-N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 22055359
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-(1,1-difluoro-3-oxopropan-2-yl)-N-methylcarbamate
CID 84725208
(3S)-3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoic acid
CID 54552976
tert-butyl N-(1-isocyanopropan-2-yl)-N-methylcarbamate
CID 82658144
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate (CID 143576868) is tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate is CCC[C@H](C=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate?
The InChIKey is KVHNUBYUKJEAAN-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-7-9(8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.22, 4 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-oxopentan-2-yl]carbamate is sourced from PubChem (CID 143576868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).