(3-amino-2-oxopropyl) acetate

C5H9NO3 — CID 22165502

IUPAC(3-amino-2-oxopropyl) acetate
SMILESCC(=O)OCC(=O)CN
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-5(8)2-6/h2-3,6H2,1H3
InChIKeyJKSMLNPCLOPWCH-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.92
Rot. Bonds3

About (3-amino-2-oxopropyl) acetate

(3-amino-2-oxopropyl) acetate (PubChem CID 22165502) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3-amino-2-oxopropyl) acetate.

Molecular Properties

Compound Name(3-amino-2-oxopropyl) acetate
PubChem CID22165502
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3-amino-2-oxopropyl) acetate
SMILESCC(=O)OCC(=O)CN
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-5(8)2-6/h2-3,6H2,1H3
InChIKeyJKSMLNPCLOPWCH-UHFFFAOYSA-N
XLogP-0.92
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropyl) acetate?
The IUPAC name of (3-amino-2-oxopropyl) acetate (CID 22165502) is (3-amino-2-oxopropyl) acetate.
What is the SMILES notation for (3-amino-2-oxopropyl) acetate?
The canonical SMILES for (3-amino-2-oxopropyl) acetate is CC(=O)OCC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropyl) acetate?
The InChIKey is JKSMLNPCLOPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)9-3-5(8)2-6/h2-3,6H2,1H3.
What are the key properties of (3-amino-2-oxopropyl) acetate?
(3-amino-2-oxopropyl) acetate has a molecular weight of 131.13 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropyl) acetate is sourced from PubChem (CID 22165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).