(2,3-diamino-3-oxopropyl) acetate

C5H10N2O3 — CID 130975644

IUPAC(2,3-diamino-3-oxopropyl) acetate
SMILESCC(=O)OCC(N)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(8)10-2-4(6)5(7)9/h4H,2,6H2,1H3,(H2,7,9)
InChIKeyXUGVTVHQRWHYNO-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.64
Rot. Bonds3

About (2,3-diamino-3-oxopropyl) acetate

(2,3-diamino-3-oxopropyl) acetate (PubChem CID 130975644) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2,3-diamino-3-oxopropyl) acetate.

Molecular Properties

Compound Name(2,3-diamino-3-oxopropyl) acetate
PubChem CID130975644
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2,3-diamino-3-oxopropyl) acetate
SMILESCC(=O)OCC(N)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(8)10-2-4(6)5(7)9/h4H,2,6H2,1H3,(H2,7,9)
InChIKeyXUGVTVHQRWHYNO-UHFFFAOYSA-N
XLogP-1.64
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
[(2S)-3-amino-2-methyl-3-oxopropyl] acetate
CID 11205829
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
CID 57226667
[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
CID 177053282
(2S)-2-amino-3-propan-2-yloxypropanamide chloride
CID 162334283
2-methylpropyl acetate;hydrate
CID 86585368
3-acetyloxy-2-[(3-acetyloxy-2-aminopropanoyl)amino]propanoic acid
CID 16718065
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
2-hydroxypropyl acetate;mercury
CID 174858394
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245

Frequently Asked Questions

What is the IUPAC name of (2,3-diamino-3-oxopropyl) acetate?
The IUPAC name of (2,3-diamino-3-oxopropyl) acetate (CID 130975644) is (2,3-diamino-3-oxopropyl) acetate.
What is the SMILES notation for (2,3-diamino-3-oxopropyl) acetate?
The canonical SMILES for (2,3-diamino-3-oxopropyl) acetate is CC(=O)OCC(N)C(N)=O.
What is the InChIKey of (2,3-diamino-3-oxopropyl) acetate?
The InChIKey is XUGVTVHQRWHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(8)10-2-4(6)5(7)9/h4H,2,6H2,1H3,(H2,7,9).
What are the key properties of (2,3-diamino-3-oxopropyl) acetate?
(2,3-diamino-3-oxopropyl) acetate has a molecular weight of 146.15 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diamino-3-oxopropyl) acetate is sourced from PubChem (CID 130975644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).