(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid

C6H10N2O3 — CID 88560270

IUPAC(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
SMILESNCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H10N2O3/c7-3-4-8-5(9)1-2-6(10)11/h1-2H,3-4,7H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyMJJLJWZRFZWLFC-UPHRSURJSA-N
MW158.16 g/mol
LogP-1.30
Rot. Bonds4

About (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid

(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid (PubChem CID 88560270) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
PubChem CID88560270
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid
SMILESNCCNC(=O)/C=C\C(=O)O
InChIInChI=1S/C6H10N2O3/c7-3-4-8-5(9)1-2-6(10)11/h1-2H,3-4,7H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyMJJLJWZRFZWLFC-UPHRSURJSA-N
XLogP-1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
(Z)-4-[2-[[(Z)-3-carboxyprop-2-enoyl]amino]ethylamino]-4-oxobut-2-enoic acid
CID 11107943
(E)-4-(2-fluoroethylamino)-4-oxobut-2-enoic acid
CID 130160499
(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)-N-(2-aminoethyl)-4-oxobut-2-enamide
CID 88954023
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
4-oxo-4-(3-sulfamoylpropylamino)but-2-enoic acid
CID 76927988
5-(3-carboxyprop-2-enoylamino)pentanoic acid
CID 54175849
4-(2-cyanoethylamino)-4-oxobut-2-enoic acid
CID 57301096
(Z)-4-[2-(2-carboxyethylamino)ethylamino]-4-oxobut-2-enoic acid
CID 163282832

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid (CID 88560270) is (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid is NCCNC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid?
The InChIKey is MJJLJWZRFZWLFC-UPHRSURJSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-3-4-8-5(9)1-2-6(10)11/h1-2H,3-4,7H2,(H,8,9)(H,10,11)/b2-1-.
What are the key properties of (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid?
(Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid has a molecular weight of 158.16 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-aminoethylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 88560270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).