3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide

C13H26NO6Si- — CID 147406816

IUPAC3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide
SMILESCCO[SiH-](CCCNC(=O)/C=C\C(=O)O)(OCC)OCC
InChIInChI=1S/C13H26NO6Si/c1-4-18-21(19-5-2,20-6-3)11-7-10-14-12(15)8-9-13(16)17/h8-9,21H,4-7,10-11H2,1-3H3,(H,14,15)(H,16,17)/q-1/b9-8-
InChIKeyDPVDUBNLCXLWQF-HJWRWDBZSA-N
MW320.44 g/mol
LogP0.91
Rot. Bonds12

About 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide

3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide (PubChem CID 147406816) has the molecular formula C13H26NO6Si- and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide.

Molecular Properties

Compound Name3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide
PubChem CID147406816
Molecular FormulaC13H26NO6Si-
Molecular Weight320.44 g/mol
Exact Mass320.15
IUPAC Name3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide
SMILESCCO[SiH-](CCCNC(=O)/C=C\C(=O)O)(OCC)OCC
InChIInChI=1S/C13H26NO6Si/c1-4-18-21(19-5-2,20-6-3)11-7-10-14-12(15)8-9-13(16)17/h8-9,21H,4-7,10-11H2,1-3H3,(H,14,15)(H,16,17)/q-1/b9-8-
InChIKeyDPVDUBNLCXLWQF-HJWRWDBZSA-N
XLogP0.91
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
CID 5381201
(Z)-4-[6-[[(E)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid
CID 92542312
4-[8-(3-carboxyprop-2-enoylamino)octylamino]-4-oxobut-2-enoic acid
CID 54461920
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
(E)-4-[3-[[3-[[(E)-3-carboxyprop-2-enoyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobut-2-enoic acid
CID 20725140
CID 168908388
CID 168908388
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
(E)-4-[3-[dimethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoic acid
CID 174032211
5-(3-carboxyprop-2-enoylamino)pentanoic acid
CID 54175849
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487
19-[[(Z)-3-carboxyprop-2-enoyl]amino]nonadecanoic acid
CID 88731152

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide?
The IUPAC name of 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide (CID 147406816) is 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide.
What is the SMILES notation for 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide?
The canonical SMILES for 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide is CCO[SiH-](CCCNC(=O)/C=C\C(=O)O)(OCC)OCC.
What is the InChIKey of 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide?
The InChIKey is DPVDUBNLCXLWQF-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H26NO6Si/c1-4-18-21(19-5-2,20-6-3)11-7-10-14-12(15)8-9-13(16)17/h8-9,21H,4-7,10-11H2,1-3H3,(H,14,15)(H,16,17)/q-1/b9-8-.
What are the key properties of 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide?
3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide has a molecular weight of 320.44 g/mol, XLogP of 0.91, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-3-carboxyprop-2-enoyl]amino]propyl-triethoxysilanuide is sourced from PubChem (CID 147406816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).