prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate

C12H18N2O5 — CID 15117345

IUPACprop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate
SMILESC=CCOC(=O)NC[C@@H](NC(=O)OCC=C)C(C)=O
InChIInChI=1S/C12H18N2O5/c1-4-6-18-11(16)13-8-10(9(3)15)14-12(17)19-7-5-2/h4-5,10H,1-2,6-8H2,3H3,(H,13,16)(H,14,17)/t10-/m1/s1
InChIKeyLNZPMJUGZZGNSC-SNVBAGLBSA-N
MW270.29 g/mol
LogP0.77
Rot. Bonds8

About prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate

prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate (PubChem CID 15117345) has the molecular formula C12H18N2O5 and a molecular weight of 270.29 g/mol. Its IUPAC name is prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate
PubChem CID15117345
Molecular FormulaC12H18N2O5
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Nameprop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate
SMILESC=CCOC(=O)NC[C@@H](NC(=O)OCC=C)C(C)=O
InChIInChI=1S/C12H18N2O5/c1-4-6-18-11(16)13-8-10(9(3)15)14-12(17)19-7-5-2/h4-5,10H,1-2,6-8H2,3H3,(H,13,16)(H,14,17)/t10-/m1/s1
InChIKeyLNZPMJUGZZGNSC-SNVBAGLBSA-N
XLogP0.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate (CID 15117345) is prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate is C=CCOC(=O)NC[C@@H](NC(=O)OCC=C)C(C)=O.
What is the InChIKey of prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate?
The InChIKey is LNZPMJUGZZGNSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-6-18-11(16)13-8-10(9(3)15)14-12(17)19-7-5-2/h4-5,10H,1-2,6-8H2,3H3,(H,13,16)(H,14,17)/t10-/m1/s1.
What are the key properties of prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate?
prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate has a molecular weight of 270.29 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R)-3-oxo-1-(prop-2-enoxycarbonylamino)butan-2-yl]carbamate is sourced from PubChem (CID 15117345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).