(2-aminoacetyl) 2,3-dihydroxypropanoate

C5H9NO5 — CID 163363613

IUPAC(2-aminoacetyl) 2,3-dihydroxypropanoate
SMILESNCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C5H9NO5/c6-1-4(9)11-5(10)3(8)2-7/h3,7-8H,1-2,6H2
InChIKeyURSXHPCDNYKDLG-UHFFFAOYSA-N
MW163.13 g/mol
LogP-2.63
Rot. Bonds3

About (2-aminoacetyl) 2,3-dihydroxypropanoate

(2-aminoacetyl) 2,3-dihydroxypropanoate (PubChem CID 163363613) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2-aminoacetyl) 2,3-dihydroxypropanoate.

Molecular Properties

Compound Name(2-aminoacetyl) 2,3-dihydroxypropanoate
PubChem CID163363613
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2-aminoacetyl) 2,3-dihydroxypropanoate
SMILESNCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C5H9NO5/c6-1-4(9)11-5(10)3(8)2-7/h3,7-8H,1-2,6H2
InChIKeyURSXHPCDNYKDLG-UHFFFAOYSA-N
XLogP-2.63
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl) 2,3-dihydroxypropanoate?
The IUPAC name of (2-aminoacetyl) 2,3-dihydroxypropanoate (CID 163363613) is (2-aminoacetyl) 2,3-dihydroxypropanoate.
What is the SMILES notation for (2-aminoacetyl) 2,3-dihydroxypropanoate?
The canonical SMILES for (2-aminoacetyl) 2,3-dihydroxypropanoate is NCC(=O)OC(=O)C(O)CO.
What is the InChIKey of (2-aminoacetyl) 2,3-dihydroxypropanoate?
The InChIKey is URSXHPCDNYKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c6-1-4(9)11-5(10)3(8)2-7/h3,7-8H,1-2,6H2.
What are the key properties of (2-aminoacetyl) 2,3-dihydroxypropanoate?
(2-aminoacetyl) 2,3-dihydroxypropanoate has a molecular weight of 163.13 g/mol, XLogP of -2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl) 2,3-dihydroxypropanoate is sourced from PubChem (CID 163363613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).