(2-amino-1,2-dihydroxyethyl) acetate

C4H9NO4 — CID 154584484

IUPAC(2-amino-1,2-dihydroxyethyl) acetate
SMILESCC(=O)OC(O)C(N)O
InChIInChI=1S/C4H9NO4/c1-2(6)9-4(8)3(5)7/h3-4,7-8H,5H2,1H3
InChIKeyDSBMNXFZSINXFB-UHFFFAOYSA-N
MW135.12 g/mol
LogP-1.86
Rot. Bonds2

About (2-amino-1,2-dihydroxyethyl) acetate

(2-amino-1,2-dihydroxyethyl) acetate (PubChem CID 154584484) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2-amino-1,2-dihydroxyethyl) acetate.

Molecular Properties

Compound Name(2-amino-1,2-dihydroxyethyl) acetate
PubChem CID154584484
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2-amino-1,2-dihydroxyethyl) acetate
SMILESCC(=O)OC(O)C(N)O
InChIInChI=1S/C4H9NO4/c1-2(6)9-4(8)3(5)7/h3-4,7-8H,5H2,1H3
InChIKeyDSBMNXFZSINXFB-UHFFFAOYSA-N
XLogP-1.86
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,2-dihydroxyethyl) acetate?
The IUPAC name of (2-amino-1,2-dihydroxyethyl) acetate (CID 154584484) is (2-amino-1,2-dihydroxyethyl) acetate.
What is the SMILES notation for (2-amino-1,2-dihydroxyethyl) acetate?
The canonical SMILES for (2-amino-1,2-dihydroxyethyl) acetate is CC(=O)OC(O)C(N)O.
What is the InChIKey of (2-amino-1,2-dihydroxyethyl) acetate?
The InChIKey is DSBMNXFZSINXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c1-2(6)9-4(8)3(5)7/h3-4,7-8H,5H2,1H3.
What are the key properties of (2-amino-1,2-dihydroxyethyl) acetate?
(2-amino-1,2-dihydroxyethyl) acetate has a molecular weight of 135.12 g/mol, XLogP of -1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,2-dihydroxyethyl) acetate is sourced from PubChem (CID 154584484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).