tert-butyl N-(3-oxopentan-2-yl)carbamate

C10H19NO3 — CID 64996768

IUPACtert-butyl N-(3-oxopentan-2-yl)carbamate
SMILESCCC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyQBLRABZSWOBOIM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-(3-oxopentan-2-yl)carbamate

tert-butyl N-(3-oxopentan-2-yl)carbamate (PubChem CID 64996768) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(3-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-oxopentan-2-yl)carbamate
PubChem CID64996768
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(3-oxopentan-2-yl)carbamate
SMILESCCC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyQBLRABZSWOBOIM-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

Analyze tert-butyl N-(3-oxopentan-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)-3-oxohexan-2-yl]carbamate
CID 75406864
tert-butyl N-[(2R)-4-bromo-3-oxobutan-2-yl]carbamate
CID 146049642
tert-butyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 112704269
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl N-[(2S)-3,6-dioxoheptan-2-yl]carbamate
CID 58195942
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate
CID 15674439
tert-butyl N-[(2R)-6-hydroxy-3-oxohexan-2-yl]carbamate
CID 160809924
tert-butyl N-[(2R)-4-cyano-3-oxobutan-2-yl]carbamate
CID 178105123
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-7-hydroxy-3-oxoheptan-2-yl]carbamate
CID 75406863

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-oxopentan-2-yl)carbamate (CID 64996768) is tert-butyl N-(3-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-oxopentan-2-yl)carbamate is CCC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-oxopentan-2-yl)carbamate?
The InChIKey is QBLRABZSWOBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of tert-butyl N-(3-oxopentan-2-yl)carbamate?
tert-butyl N-(3-oxopentan-2-yl)carbamate 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 tert-butyl N-(3-oxopentan-2-yl)carbamate is sourced from PubChem (CID 64996768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).