2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid

C9H14N2O4 — CID 79271263

IUPAC2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
SMILESC#CCNCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-3-4-10-5-7(12)11-6-9(2,15)8(13)14/h1,10,15H,4-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyANDCNDABBFFNGK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.84
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid (PubChem CID 79271263) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
PubChem CID79271263
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
SMILESC#CCNCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H14N2O4/c1-3-4-10-5-7(12)11-6-9(2,15)8(13)14/h1,10,15H,4-6H2,2H3,(H,11,12)(H,13,14)
InChIKeyANDCNDABBFFNGK-UHFFFAOYSA-N
XLogP-1.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]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

Related Compounds

2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
CID 104643565
N-(2,2-dimethylbutyl)-2-(prop-2-ynylamino)acetamide
CID 103461480
2-hydroxy-2-methyl-3-(prop-2-ynoylamino)propanoic acid
CID 66173410
2-hydroxy-2-methyl-3-[(2-methylsulfanylacetyl)amino]propanoic acid
CID 66171975
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid (CID 79271263) is 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid is C#CCNCC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid?
The InChIKey is ANDCNDABBFFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-4-10-5-7(12)11-6-9(2,15)8(13)14/h1,10,15H,4-6H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of -1.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 79271263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).