2-[(2S)-2-aminopropanoyl]oxypropanoic acid

C6H11NO4 — CID 45086751

IUPAC2-[(2S)-2-aminopropanoyl]oxypropanoic acid
SMILESCC(OC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4?/m0/s1
InChIKeyQLYOONKPELZQGZ-WUCPZUCCSA-N
MW161.16 g/mol
LogP-0.65
Rot. Bonds3

About 2-[(2S)-2-aminopropanoyl]oxypropanoic acid

2-[(2S)-2-aminopropanoyl]oxypropanoic acid (PubChem CID 45086751) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[(2S)-2-aminopropanoyl]oxypropanoic acid
PubChem CID45086751
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-[(2S)-2-aminopropanoyl]oxypropanoic acid
SMILESCC(OC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4?/m0/s1
InChIKeyQLYOONKPELZQGZ-WUCPZUCCSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-aminopropanoyl]oxypropanoic 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-[(2S)-2-aminopropanoyl]oxypropanoic acid?
The IUPAC name of 2-[(2S)-2-aminopropanoyl]oxypropanoic acid (CID 45086751) is 2-[(2S)-2-aminopropanoyl]oxypropanoic acid.
What is the SMILES notation for 2-[(2S)-2-aminopropanoyl]oxypropanoic acid?
The canonical SMILES for 2-[(2S)-2-aminopropanoyl]oxypropanoic acid is CC(OC(=O)[C@H](C)N)C(=O)O.
What is the InChIKey of 2-[(2S)-2-aminopropanoyl]oxypropanoic acid?
The InChIKey is QLYOONKPELZQGZ-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4?/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropanoyl]oxypropanoic acid?
2-[(2S)-2-aminopropanoyl]oxypropanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropanoyl]oxypropanoic acid is sourced from PubChem (CID 45086751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).