2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid

C10H16N2O3 — CID 79273523

IUPAC2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)C(C)(C)NC
InChIInChI=1S/C10H16N2O3/c1-5-6-12(7-8(13)14)9(15)10(2,3)11-4/h1,11H,6-7H2,2-4H3,(H,13,14)
InChIKeyHPLDYZAMNPZFJW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.47
Rot. Bonds5

About 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid

2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid (PubChem CID 79273523) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid
PubChem CID79273523
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)C(C)(C)NC
InChIInChI=1S/C10H16N2O3/c1-5-6-12(7-8(13)14)9(15)10(2,3)11-4/h1,11H,6-7H2,2-4H3,(H,13,14)
InChIKeyHPLDYZAMNPZFJW-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic 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-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid (CID 79273523) is 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)C(C)(C)NC.
What is the InChIKey of 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid?
The InChIKey is HPLDYZAMNPZFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-6-12(7-8(13)14)9(15)10(2,3)11-4/h1,11H,6-7H2,2-4H3,(H,13,14).
What are the key properties of 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid?
2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(methylamino)propanoyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).