acetic acid;(2S)-2-aminopropanoic acid

C7H15NO6 — CID 87112640

IUPACacetic acid;(2S)-2-aminopropanoic acid
SMILESCC(=O)O.CC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C3H7NO2.2C2H4O2/c1-2(4)3(5)6;2*1-2(3)4/h2H,4H2,1H3,(H,5,6);2*1H3,(H,3,4)/t2-;;/m0../s1
InChIKeyZOZIGIGSKMAFFZ-JIZZDEOASA-N
MW209.20 g/mol
LogP-0.40
Rot. Bonds1

About acetic acid;(2S)-2-aminopropanoic acid

acetic acid;(2S)-2-aminopropanoic acid (PubChem CID 87112640) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is acetic acid;(2S)-2-aminopropanoic acid.

Molecular Properties

Compound Nameacetic acid;(2S)-2-aminopropanoic acid
PubChem CID87112640
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Nameacetic acid;(2S)-2-aminopropanoic acid
SMILESCC(=O)O.CC(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C3H7NO2.2C2H4O2/c1-2(4)3(5)6;2*1-2(3)4/h2H,4H2,1H3,(H,5,6);2*1H3,(H,3,4)/t2-;;/m0../s1
InChIKeyZOZIGIGSKMAFFZ-JIZZDEOASA-N
XLogP-0.40
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
acetic acid;2-aminopropanoic acid;azane
CID 175391326
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
potassium;2-aminopropanoic acid;hydride
CID 173162937
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-2-aminopropanoic acid?
The IUPAC name of acetic acid;(2S)-2-aminopropanoic acid (CID 87112640) is acetic acid;(2S)-2-aminopropanoic acid.
What is the SMILES notation for acetic acid;(2S)-2-aminopropanoic acid?
The canonical SMILES for acetic acid;(2S)-2-aminopropanoic acid is CC(=O)O.CC(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of acetic acid;(2S)-2-aminopropanoic acid?
The InChIKey is ZOZIGIGSKMAFFZ-JIZZDEOASA-N. The full InChI is InChI=1S/C3H7NO2.2C2H4O2/c1-2(4)3(5)6;2*1-2(3)4/h2H,4H2,1H3,(H,5,6);2*1H3,(H,3,4)/t2-;;/m0../s1.
What are the key properties of acetic acid;(2S)-2-aminopropanoic acid?
acetic acid;(2S)-2-aminopropanoic acid has a molecular weight of 209.20 g/mol, XLogP of -0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-2-aminopropanoic acid is sourced from PubChem (CID 87112640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).