prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

C9H16N2O3 — CID 171612901

IUPACprop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESC=CCOC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)11-7(6(2)3)8(10)12/h4,6-7H,1,5H2,2-3H3,(H2,10,12)(H,11,13)
InChIKeyAITPWGGSWPTVOS-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.41
Rot. Bonds5

About prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 171612901) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID171612901
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameprop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESC=CCOC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)11-7(6(2)3)8(10)12/h4,6-7H,1,5H2,2-3H3,(H2,10,12)(H,11,13)
InChIKeyAITPWGGSWPTVOS-UHFFFAOYSA-N
XLogP0.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-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

prop-2-enyl N-[1-(methoxyamino)-1-oxopent-4-en-2-yl]carbamate
CID 10263167
prop-2-enyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
CID 141320398
N-{[(Prop-2-en-1-yl)oxy]carbonyl}leucylglycinamide
CID 344240
ethyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 54228153
prop-2-enyl (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoate
CID 16070369
prop-2-enyl N-[(2R)-3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamate
CID 176433221
prop-2-enyl N-[(4R)-5-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]carbamate
CID 176433223
prop-2-enyl N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 239910
N-{[(Prop-2-en-1-yl)oxy]carbonyl}glycylalaninamide
CID 344424
prop-2-enyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 92011218
prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate
CID 15117345
prop-2-enyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 15658631

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (CID 171612901) is prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is C=CCOC(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is AITPWGGSWPTVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-14-9(13)11-7(6(2)3)8(10)12/h4,6-7H,1,5H2,2-3H3,(H2,10,12)(H,11,13).
What are the key properties of prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 171612901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).