(2S)-3-acetyloxy-2-aminopropanoic acid

C10H18N2O8 — CID 88545588

IUPAC(2S)-3-acetyloxy-2-aminopropanoic acid
SMILESCC(=O)OC[C@H](N)C(=O)O.CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/2C5H9NO4/c2*1-3(7)10-2-4(6)5(8)9/h2*4H,2,6H2,1H3,(H,8,9)/t2*4-/m00/s1
InChIKeyZXVCGUFIWPKHOH-RZVRUWJTSA-N
MW294.26 g/mol
LogP-2.08
Rot. Bonds6

About (2S)-3-acetyloxy-2-aminopropanoic acid

(2S)-3-acetyloxy-2-aminopropanoic acid (PubChem CID 88545588) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is (2S)-3-acetyloxy-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-3-acetyloxy-2-aminopropanoic acid
PubChem CID88545588
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name(2S)-3-acetyloxy-2-aminopropanoic acid
SMILESCC(=O)OC[C@H](N)C(=O)O.CC(=O)OC[C@H](N)C(=O)O
InChIInChI=1S/2C5H9NO4/c2*1-3(7)10-2-4(6)5(8)9/h2*4H,2,6H2,1H3,(H,8,9)/t2*4-/m00/s1
InChIKeyZXVCGUFIWPKHOH-RZVRUWJTSA-N
XLogP-2.08
TPSA179.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2,3-diamino-3-oxopropyl) acetate
CID 130975644
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2S)-2-amino-3-(3-oxobutanoyloxy)propanoic acid
CID 14218610
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340
3-acetyloxy-2-[(3-acetyloxy-2-aminopropanoyl)amino]propanoic acid
CID 16718065
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
2-amino-3-decoxypropanoic acid
CID 134329186

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyloxy-2-aminopropanoic acid?
The IUPAC name of (2S)-3-acetyloxy-2-aminopropanoic acid (CID 88545588) is (2S)-3-acetyloxy-2-aminopropanoic acid.
What is the SMILES notation for (2S)-3-acetyloxy-2-aminopropanoic acid?
The canonical SMILES for (2S)-3-acetyloxy-2-aminopropanoic acid is CC(=O)OC[C@H](N)C(=O)O.CC(=O)OC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-3-acetyloxy-2-aminopropanoic acid?
The InChIKey is ZXVCGUFIWPKHOH-RZVRUWJTSA-N. The full InChI is InChI=1S/2C5H9NO4/c2*1-3(7)10-2-4(6)5(8)9/h2*4H,2,6H2,1H3,(H,8,9)/t2*4-/m00/s1.
What are the key properties of (2S)-3-acetyloxy-2-aminopropanoic acid?
(2S)-3-acetyloxy-2-aminopropanoic acid has a molecular weight of 294.26 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetyloxy-2-aminopropanoic acid is sourced from PubChem (CID 88545588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).