ethene;2-(methylamino)butanedioic acid

C7H13NO4 — CID 174781740

IUPACethene;2-(methylamino)butanedioic acid
SMILESC=C.CNC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C2H4/c1-6-3(5(9)10)2-4(7)8;1-2/h3,6H,2H2,1H3,(H,7,8)(H,9,10);1-2H2
InChIKeyBNWYAAIUFYFXHA-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.06
Rot. Bonds4

About ethene;2-(methylamino)butanedioic acid

ethene;2-(methylamino)butanedioic acid (PubChem CID 174781740) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethene;2-(methylamino)butanedioic acid.

Molecular Properties

Compound Nameethene;2-(methylamino)butanedioic acid
PubChem CID174781740
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethene;2-(methylamino)butanedioic acid
SMILESC=C.CNC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C2H4/c1-6-3(5(9)10)2-4(7)8;1-2/h3,6H,2H2,1H3,(H,7,8)(H,9,10);1-2H2
InChIKeyBNWYAAIUFYFXHA-UHFFFAOYSA-N
XLogP-0.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;2-(methylamino)butanedioic 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

3-amino-2-methylpropanoic acid;(2S)-2-(methylamino)butanedioic acid
CID 90177526
(3S)-4-aminooxy-3-(methylamino)-4-oxobutanoic acid
CID 90914641
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
(3S)-4-carboxyoxy-3-(methylamino)-4-oxobutanoic acid
CID 168861286
ethane;2-(methylamino)butanoic acid
CID 91558033
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
2-(1-iodoethylamino)butanedioic acid
CID 155084761
(2S)-2-[[3-[[(1S)-1,2-dicarboxyethyl]amino]-2-methylpropyl]amino]butanedioic acid
CID 18394492

Frequently Asked Questions

What is the IUPAC name of ethene;2-(methylamino)butanedioic acid?
The IUPAC name of ethene;2-(methylamino)butanedioic acid (CID 174781740) is ethene;2-(methylamino)butanedioic acid.
What is the SMILES notation for ethene;2-(methylamino)butanedioic acid?
The canonical SMILES for ethene;2-(methylamino)butanedioic acid is C=C.CNC(CC(=O)O)C(=O)O.
What is the InChIKey of ethene;2-(methylamino)butanedioic acid?
The InChIKey is BNWYAAIUFYFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C2H4/c1-6-3(5(9)10)2-4(7)8;1-2/h3,6H,2H2,1H3,(H,7,8)(H,9,10);1-2H2.
What are the key properties of ethene;2-(methylamino)butanedioic acid?
ethene;2-(methylamino)butanedioic acid has a molecular weight of 175.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(methylamino)butanedioic acid is sourced from PubChem (CID 174781740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).