bis[2-(methylamino)acetyl] (Z)-but-2-enedioate

C10H14N2O6 — CID 88841702

IUPACbis[2-(methylamino)acetyl] (Z)-but-2-enedioate
SMILESCNCC(=O)OC(=O)/C=C\C(=O)OC(=O)CNC
InChIInChI=1S/C10H14N2O6/c1-11-5-9(15)17-7(13)3-4-8(14)18-10(16)6-12-2/h3-4,11-12H,5-6H2,1-2H3/b4-3-
InChIKeyIAYPVKHQVKQZSH-ARJAWSKDSA-N
MW258.23 g/mol
LogP-1.88
Rot. Bonds6

About bis[2-(methylamino)acetyl] (Z)-but-2-enedioate

bis[2-(methylamino)acetyl] (Z)-but-2-enedioate (PubChem CID 88841702) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is bis[2-(methylamino)acetyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis[2-(methylamino)acetyl] (Z)-but-2-enedioate
PubChem CID88841702
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Namebis[2-(methylamino)acetyl] (Z)-but-2-enedioate
SMILESCNCC(=O)OC(=O)/C=C\C(=O)OC(=O)CNC
InChIInChI=1S/C10H14N2O6/c1-11-5-9(15)17-7(13)3-4-8(14)18-10(16)6-12-2/h3-4,11-12H,5-6H2,1-2H3/b4-3-
InChIKeyIAYPVKHQVKQZSH-ARJAWSKDSA-N
XLogP-1.88
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dipropanoyl (Z)-but-2-enedioate
CID 88688365
azane;methyl 2-(methylamino)acetate
CID 87200278
sulfanyl 2-(methylamino)acetate
CID 150047574
[2-(methylamino)acetyl] (2S)-2-methylbutanoate
CID 175881617
1,2-dimethoxyethane;methyl 2-(methylamino)acetate
CID 161160255
[2-(methylamino)acetyl] octadecanoate
CID 57485427
[(E)-but-2-enoyl] 3-oxobutanoate
CID 87605905
4-[4-(3-carboxyprop-2-enoyloxy)-4-oxobutanoyl]oxy-4-oxobut-2-enoic acid
CID 123873468
CID 175839968
CID 175839968
azane;[2-(methylamino)acetyl] tetradecanoate
CID 87240252
[2-(methylamino)acetyl] (2S,3R)-2-amino-3-methylpentanoate
CID 142299481
dihexadecanoyl (Z)-but-2-enedioate
CID 87225490

Frequently Asked Questions

What is the IUPAC name of bis[2-(methylamino)acetyl] (Z)-but-2-enedioate?
The IUPAC name of bis[2-(methylamino)acetyl] (Z)-but-2-enedioate (CID 88841702) is bis[2-(methylamino)acetyl] (Z)-but-2-enedioate.
What is the SMILES notation for bis[2-(methylamino)acetyl] (Z)-but-2-enedioate?
The canonical SMILES for bis[2-(methylamino)acetyl] (Z)-but-2-enedioate is CNCC(=O)OC(=O)/C=C\C(=O)OC(=O)CNC.
What is the InChIKey of bis[2-(methylamino)acetyl] (Z)-but-2-enedioate?
The InChIKey is IAYPVKHQVKQZSH-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14N2O6/c1-11-5-9(15)17-7(13)3-4-8(14)18-10(16)6-12-2/h3-4,11-12H,5-6H2,1-2H3/b4-3-.
What are the key properties of bis[2-(methylamino)acetyl] (Z)-but-2-enedioate?
bis[2-(methylamino)acetyl] (Z)-but-2-enedioate has a molecular weight of 258.23 g/mol, XLogP of -1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(methylamino)acetyl] (Z)-but-2-enedioate is sourced from PubChem (CID 88841702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).