(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid

C11H14N2O6 — CID 5381201

IUPAC(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H14N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h2-5H,1,6-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-
InChIKeyRCDMHMKCOQUIFA-JVLMNHKTSA-N
MW270.24 g/mol
LogP-1.11
Rot. Bonds8

About (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid

(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid (PubChem CID 5381201) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
PubChem CID5381201
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H14N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h2-5H,1,6-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-
InChIKeyRCDMHMKCOQUIFA-JVLMNHKTSA-N
XLogP-1.11
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
5-(3-carboxyprop-2-enoylamino)pentanoic acid
CID 54175849
19-[[(Z)-3-carboxyprop-2-enoyl]amino]nonadecanoic acid
CID 88731152
7-[[(Z)-3-carboxyprop-2-enoyl]amino]heptanoic acid
CID 10776610
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
(E)-4-(2-fluoroethylamino)-4-oxobut-2-enoic acid
CID 130160499
(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
CID 88560270
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988
(E)-4-[3-[[3-[[(E)-3-carboxyprop-2-enoyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobut-2-enoic acid
CID 20725140

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid (CID 5381201) is (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)NCCCNC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The InChIKey is RCDMHMKCOQUIFA-JVLMNHKTSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-8(2-4-10(16)17)12-6-1-7-13-9(15)3-5-11(18)19/h2-5H,1,6-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-.
What are the key properties of (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid has a molecular weight of 270.24 g/mol, XLogP of -1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 5381201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).