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

C11H14N2O6 — CID 88730401

IUPAC(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
SMILESCC(CNC(=O)/C=C\C(=O)O)NC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H14N2O6/c1-7(13-9(15)3-5-11(18)19)6-12-8(14)2-4-10(16)17/h2-5,7H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-
InChIKeyBXJVAAVTABZTDV-JVLMNHKTSA-N
MW270.24 g/mol
LogP-1.11
Rot. Bonds7

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

(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid (PubChem CID 88730401) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
PubChem CID88730401
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid
SMILESCC(CNC(=O)/C=C\C(=O)O)NC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H14N2O6/c1-7(13-9(15)3-5-11(18)19)6-12-8(14)2-4-10(16)17/h2-5,7H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-
InChIKeyBXJVAAVTABZTDV-JVLMNHKTSA-N
XLogP-1.11
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Propylmaleamic acid
CID 6020063
(2Z)-4-(Ethylamino)-4-oxo-2-butenoic acid
CID 5380356
(E)-4-oxo-4-(propan-2-ylamino)but-2-enoic acid
CID 5875432
(Z)-3-Cyclopropylcarbamoyl-acrylic acid
CID 6049170
4-(Isopropylamino)-4-oxo-2-butenoic acid
CID 5355546
(E)-4-(isobutylamino)-4-oxobut-2-enoic acid
CID 5929841
N-n-Propylmaleamic acid
CID 5369197
N,N'-Ethylenebis(maleamic Acid)
CID 11107943
(2Z)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 5356376
4-{[3-(Diethylamino)propyl]amino}-4-oxobut-2-enoic acid
CID 1678792
N-normal-butyl maleamic acid
CID 5355547
4-[3-(Diethylamino)propylamino]-4-oxobut-2-enoic acid
CID 2731947

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid (CID 88730401) is (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid is CC(CNC(=O)/C=C\C(=O)O)NC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
The InChIKey is BXJVAAVTABZTDV-JVLMNHKTSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-7(13-9(15)3-5-11(18)19)6-12-8(14)2-4-10(16)17/h2-5,7H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)(H,18,19)/b4-2-,5-3-.
What are the key properties of (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid?
(Z)-4-[2-[[(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, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]propylamino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 88730401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).