2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid

C9H18N2O4 — CID 174344810

IUPAC2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O.CNCC(=O)O
InChIInChI=1S/C6H11NO2.C3H7NO2/c1-3-4-7-5(2)6(8)9;1-4-2-3(5)6/h3,5,7H,1,4H2,2H3,(H,8,9);4H,2H2,1H3,(H,5,6)
InChIKeyGPDXZGOVZRNEKQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.47
Rot. Bonds6

About 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid

2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid (PubChem CID 174344810) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid
PubChem CID174344810
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid
SMILESC=CCNC(C)C(=O)O.CNCC(=O)O
InChIInChI=1S/C6H11NO2.C3H7NO2/c1-3-4-7-5(2)6(8)9;1-4-2-3(5)6/h3,5,7H,1,4H2,2H3,(H,8,9);4H,2H2,1H3,(H,5,6)
InChIKeyGPDXZGOVZRNEKQ-UHFFFAOYSA-N
XLogP-0.47
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid?
The IUPAC name of 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid (CID 174344810) is 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid?
The canonical SMILES for 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid is C=CCNC(C)C(=O)O.CNCC(=O)O.
What is the InChIKey of 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid?
The InChIKey is GPDXZGOVZRNEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C3H7NO2/c1-3-4-7-5(2)6(8)9;1-4-2-3(5)6/h3,5,7H,1,4H2,2H3,(H,8,9);4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid?
2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetic acid;2-(prop-2-enylamino)propanoic acid is sourced from PubChem (CID 174344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).