(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid

C7H10N2O4 — CID 90290384

IUPAC(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid
SMILESCNC(=O)/C=C(/CC(N)=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9-6(11)3-4(7(12)13)2-5(8)10/h3H,2H2,1H3,(H2,8,10)(H,9,11)(H,12,13)/b4-3-
InChIKeyFLDSWXIRCDLCAF-ARJAWSKDSA-N
MW186.17 g/mol
LogP-1.38
Rot. Bonds4

About (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid

(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid (PubChem CID 90290384) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid
PubChem CID90290384
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid
SMILESCNC(=O)/C=C(/CC(N)=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9-6(11)3-4(7(12)13)2-5(8)10/h3H,2H2,1H3,(H2,8,10)(H,9,11)(H,12,13)/b4-3-
InChIKeyFLDSWXIRCDLCAF-ARJAWSKDSA-N
XLogP-1.38
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.38
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

(Z)-4-amino-2-[2-(methylamino)-2-oxoethyl]-4-oxobut-2-enoic acid
CID 152916197
N-(ethylideneamino)methanamine;(Z)-4-(methylamino)-2-[2-(methylamino)-2-oxoethyl]-4-oxobut-2-enoic acid
CID 158090866
propanediamide
CID 7911
(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
CID 163903254
(Z)-3-acetylpent-3-enamide
CID 154977238
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
(E)-3-fluoro-N-methylbut-2-enamide
CID 118189831
2-[amino(methylamino)methylidene]-3-(aminomethylidene)-N-methylpentanediamide
CID 146694523
formaldehyde;propanediamide
CID 161283557
4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide
CID 158030806
[4-amino-2-(2-amino-2-oxoethyl)-4-(methylamino)-3-(methylcarbamoyl)buta-1,3-dienyl]azanium
CID 146694522
3-iodo-N-methylbut-2-enamide
CID 75151971

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid (CID 90290384) is (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid is CNC(=O)/C=C(/CC(N)=O)C(=O)O.
What is the InChIKey of (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid?
The InChIKey is FLDSWXIRCDLCAF-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-9-6(11)3-4(7(12)13)2-5(8)10/h3H,2H2,1H3,(H2,8,10)(H,9,11)(H,12,13)/b4-3-.
What are the key properties of (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid?
(Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-amino-2-oxoethyl)-4-(methylamino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 90290384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).