prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H28N2O4 — CID 54271149

IUPACprop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CCOC(=O)N(C(=O)OC(C)(C)C)[C@H](CN)[C@@H](C)CC
InChIInChI=1S/C15H28N2O4/c1-7-9-20-13(18)17(12(10-16)11(3)8-2)14(19)21-15(4,5)6/h7,11-12H,1,8-10,16H2,2-6H3/t11-,12+/m0/s1
InChIKeyRKFMBWRABWXRRY-NWDGAFQWSA-N
MW300.40 g/mol
LogP2.92
Rot. Bonds6

About prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 54271149) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID54271149
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameprop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC=CCOC(=O)N(C(=O)OC(C)(C)C)[C@H](CN)[C@@H](C)CC
InChIInChI=1S/C15H28N2O4/c1-7-9-20-13(18)17(12(10-16)11(3)8-2)14(19)21-15(4,5)6/h7,11-12H,1,8-10,16H2,2-6H3/t11-,12+/m0/s1
InChIKeyRKFMBWRABWXRRY-NWDGAFQWSA-N
XLogP2.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 54271149) is prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C=CCOC(=O)N(C(=O)OC(C)(C)C)[C@H](CN)[C@@H](C)CC.
What is the InChIKey of prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is RKFMBWRABWXRRY-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-7-9-20-13(18)17(12(10-16)11(3)8-2)14(19)21-15(4,5)6/h7,11-12H,1,8-10,16H2,2-6H3/t11-,12+/m0/s1.
What are the key properties of prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2S,3S)-1-amino-3-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 54271149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).