tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate

C10H17NO3 — CID 14541319

IUPACtert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
SMILESC=CC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,13)/t7-/m1/s1
InChIKeyTUQPRWAHCDKMKC-SSDOTTSWSA-N
MW199.25 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate

tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate (PubChem CID 14541319) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
PubChem CID14541319
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
SMILESC=CC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,13)/t7-/m1/s1
InChIKeyTUQPRWAHCDKMKC-SSDOTTSWSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-3-oxopent-4-en-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

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(3-bromobut-3-en-2-yl)carbamate
CID 166659302
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
(3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131218171
O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
CID 162514710
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
[(3S)-pent-1-en-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174331482
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate (CID 14541319) is tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate is C=CC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate?
The InChIKey is TUQPRWAHCDKMKC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 14541319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).