(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid

C5H9NO5 — CID 87954060

IUPAC(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid
SMILESO=C(CO)NC[C@@H](O)C(=O)O
InChIInChI=1S/C5H9NO5/c7-2-4(9)6-1-3(8)5(10)11/h3,7-8H,1-2H2,(H,6,9)(H,10,11)/t3-/m1/s1
InChIKeyYNYUIXPCXLIVQB-GSVOUGTGSA-N
MW163.13 g/mol
LogP-2.46
Rot. Bonds4

About (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid

(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid (PubChem CID 87954060) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid
PubChem CID87954060
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid
SMILESO=C(CO)NC[C@@H](O)C(=O)O
InChIInChI=1S/C5H9NO5/c7-2-4(9)6-1-3(8)5(10)11/h3,7-8H,1-2H2,(H,6,9)(H,10,11)/t3-/m1/s1
InChIKeyYNYUIXPCXLIVQB-GSVOUGTGSA-N
XLogP-2.46
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid (CID 87954060) is (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid is O=C(CO)NC[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid?
The InChIKey is YNYUIXPCXLIVQB-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9NO5/c7-2-4(9)6-1-3(8)5(10)11/h3,7-8H,1-2H2,(H,6,9)(H,10,11)/t3-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid?
(2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid has a molecular weight of 163.13 g/mol, XLogP of -2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-[(2-hydroxyacetyl)amino]propanoic acid is sourced from PubChem (CID 87954060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).