(3-amino-3-oxopropyl) acetate

C5H9NO3 — CID 19981550

IUPAC(3-amino-3-oxopropyl) acetate
SMILESCC(=O)OCCC(N)=O
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-2-5(6)8/h2-3H2,1H3,(H2,6,8)
InChIKeyDSOBFWPMWSXZGI-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.58
Rot. Bonds3

About (3-amino-3-oxopropyl) acetate

(3-amino-3-oxopropyl) acetate (PubChem CID 19981550) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3-amino-3-oxopropyl) acetate.

Molecular Properties

Compound Name(3-amino-3-oxopropyl) acetate
PubChem CID19981550
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3-amino-3-oxopropyl) acetate
SMILESCC(=O)OCCC(N)=O
InChIInChI=1S/C5H9NO3/c1-4(7)9-3-2-5(6)8/h2-3H2,1H3,(H2,6,8)
InChIKeyDSOBFWPMWSXZGI-UHFFFAOYSA-N
XLogP-0.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxypropanamide;3-oxopropyl acetate
CID 87408410
(3-amino-3-oxopropyl) propanoate
CID 54518941
(3-chloro-4-methylpent-3-enyl) acetate
CID 142889748
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
(3-acetyl-4-methylpent-3-enyl) acetate
CID 140995275
11-acetyloxyundecyl acetate
CID 87784419
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
(3-acetamido-3-oxopropyl) acetate
CID 20757985
(4-hydroxy-3-oxopentyl) acetate
CID 57172165
3-iminobutyl acetate
CID 163586069
acetyl 4-acetyloxy-2-methylidenebutanoate
CID 122553711

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropyl) acetate?
The IUPAC name of (3-amino-3-oxopropyl) acetate (CID 19981550) is (3-amino-3-oxopropyl) acetate.
What is the SMILES notation for (3-amino-3-oxopropyl) acetate?
The canonical SMILES for (3-amino-3-oxopropyl) acetate is CC(=O)OCCC(N)=O.
What is the InChIKey of (3-amino-3-oxopropyl) acetate?
The InChIKey is DSOBFWPMWSXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)9-3-2-5(6)8/h2-3H2,1H3,(H2,6,8).
What are the key properties of (3-amino-3-oxopropyl) acetate?
(3-amino-3-oxopropyl) acetate has a molecular weight of 131.13 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl) acetate is sourced from PubChem (CID 19981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).