prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate

C17H28N2O5 — CID 91722480

IUPACprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)NC(CCC)C(=O)OCC=C
InChIInChI=1S/C17H28N2O5/c1-5-9-13(19-17(22)24-12-8-4)15(20)18-14(10-6-2)16(21)23-11-7-3/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyGIZIKHCUMAPGRC-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.08
Rot. Bonds12

About prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate

prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91722480) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91722480
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nameprop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)NC(CCC)C(=O)OCC=C
InChIInChI=1S/C17H28N2O5/c1-5-9-13(19-17(22)24-12-8-4)15(20)18-14(10-6-2)16(21)23-11-7-3/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyGIZIKHCUMAPGRC-UHFFFAOYSA-N
XLogP2.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

l-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
Boc-Val-Leu-Gly-Oallyl
CID 100936973
l-Norvaline, N-allyloxycarbonyl-, allyl ester
CID 91722394
l-Norvaline, N-allyloxycarbonyl-, isobutyl ester
CID 91722482
l-Norvaline, N-allyloxycarbonyl-, isohexyl ester
CID 91722483
l-Norvaline, N-allyloxycarbonyl-, heptyl ester
CID 91722484
l-Norvaline, N-allyloxycarbonyl-, octyl ester
CID 91722485
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
H-Lys(Tfa)-D-Ala-D-Ala-Oallyl.HCl
CID 11847088
H-Lys(Tfa)-D-Ala-D-Ala-Oallyl
CID 11847089
4-Methyl-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]pentanoic acid
CID 344242
pivaloyl-Gly-Pro-Ala-Oallyl
CID 172991949

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate (CID 91722480) is prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate is C=CCOC(=O)NC(CCC)C(=O)NC(CCC)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is GIZIKHCUMAPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-5-9-13(19-17(22)24-12-8-4)15(20)18-14(10-6-2)16(21)23-11-7-3/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate?
prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 340.42 g/mol, XLogP of 2.08, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(prop-2-enoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91722480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).