(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid

C6H12N2O4 — CID 7009579

IUPAC(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CO)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKeySSJMZMUVNKEENT-IMJSIDKUSA-N
MW176.17 g/mol
LogP-2.10
Rot. Bonds4

About (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid (PubChem CID 7009579) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid
PubChem CID7009579
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CO)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKeySSJMZMUVNKEENT-IMJSIDKUSA-N
XLogP-2.10
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid (CID 7009579) is (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](N)CO)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid?
The InChIKey is SSJMZMUVNKEENT-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid has a molecular weight of 176.17 g/mol, XLogP of -2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid is sourced from PubChem (CID 7009579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).