prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate

C8H14N2O3 — CID 59729549

IUPACprop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](C)C(=O)NC
InChIInChI=1S/C8H14N2O3/c1-4-5-13-8(12)10-6(2)7(11)9-3/h4,6H,1,5H2,2-3H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyIRUQVXMDWHTSMP-LURJTMIESA-N
MW186.21 g/mol
LogP0.03
Rot. Bonds4

About prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate

prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 59729549) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID59729549
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameprop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESC=CCOC(=O)N[C@@H](C)C(=O)NC
InChIInChI=1S/C8H14N2O3/c1-4-5-13-8(12)10-6(2)7(11)9-3/h4,6H,1,5H2,2-3H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyIRUQVXMDWHTSMP-LURJTMIESA-N
XLogP0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate (CID 59729549) is prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate is C=CCOC(=O)N[C@@H](C)C(=O)NC.
What is the InChIKey of prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is IRUQVXMDWHTSMP-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4-5-13-8(12)10-6(2)7(11)9-3/h4,6H,1,5H2,2-3H3,(H,9,11)(H,10,12)/t6-/m0/s1.
What are the key properties of prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate?
prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 186.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59729549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).