(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid

C6H9NO6 — CID 54051525

IUPAC(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid
SMILESN[C@@H](COC(=O)C(=O)CO)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(5(10)11)2-13-6(12)4(9)1-8/h3,8H,1-2,7H2,(H,10,11)/t3-/m0/s1
InChIKeyLTEZOAGYDQLQGR-VKHMYHEASA-N
MW191.14 g/mol
LogP-2.50
Rot. Bonds5

About (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid

(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid (PubChem CID 54051525) has the molecular formula C6H9NO6 and a molecular weight of 191.14 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid
PubChem CID54051525
Molecular FormulaC6H9NO6
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Name(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid
SMILESN[C@@H](COC(=O)C(=O)CO)C(=O)O
InChIInChI=1S/C6H9NO6/c7-3(5(10)11)2-13-6(12)4(9)1-8/h3,8H,1-2,7H2,(H,10,11)/t3-/m0/s1
InChIKeyLTEZOAGYDQLQGR-VKHMYHEASA-N
XLogP-2.50
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid (CID 54051525) is (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid is N[C@@H](COC(=O)C(=O)CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid?
The InChIKey is LTEZOAGYDQLQGR-VKHMYHEASA-N. The full InChI is InChI=1S/C6H9NO6/c7-3(5(10)11)2-13-6(12)4(9)1-8/h3,8H,1-2,7H2,(H,10,11)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid?
(2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid has a molecular weight of 191.14 g/mol, XLogP of -2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-hydroxy-2-oxopropanoyl)oxypropanoic acid is sourced from PubChem (CID 54051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).