acetic acid;2-aminopropanoic acid;azane

C9H22N2O8 — CID 175391326

IUPACacetic acid;2-aminopropanoic acid;azane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(N)C(=O)O.N
InChIInChI=1S/C3H7NO2.3C2H4O2.H3N/c1-2(4)3(5)6;3*1-2(3)4;/h2H,4H2,1H3,(H,5,6);3*1H3,(H,3,4);1H3
InChIKeyJKSYCZBKSSSMKI-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.15
Rot. Bonds1

About acetic acid;2-aminopropanoic acid;azane

acetic acid;2-aminopropanoic acid;azane (PubChem CID 175391326) has the molecular formula C9H22N2O8 and a molecular weight of 286.28 g/mol. Its IUPAC name is acetic acid;2-aminopropanoic acid;azane.

Molecular Properties

Compound Nameacetic acid;2-aminopropanoic acid;azane
PubChem CID175391326
Molecular FormulaC9H22N2O8
Molecular Weight286.28 g/mol
Exact Mass286.14
IUPAC Nameacetic acid;2-aminopropanoic acid;azane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(N)C(=O)O.N
InChIInChI=1S/C3H7NO2.3C2H4O2.H3N/c1-2(4)3(5)6;3*1-2(3)4;/h2H,4H2,1H3,(H,5,6);3*1H3,(H,3,4);1H3
InChIKeyJKSYCZBKSSSMKI-UHFFFAOYSA-N
XLogP-0.15
TPSA210.22 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
calcium;2-aminopropanoic acid;azane;hydride
CID 173017649
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
potassium;2-aminopropanoic acid;hydride
CID 173162937
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-aminopropanoic acid;azane?
The IUPAC name of acetic acid;2-aminopropanoic acid;azane (CID 175391326) is acetic acid;2-aminopropanoic acid;azane.
What is the SMILES notation for acetic acid;2-aminopropanoic acid;azane?
The canonical SMILES for acetic acid;2-aminopropanoic acid;azane is CC(=O)O.CC(=O)O.CC(=O)O.CC(N)C(=O)O.N.
What is the InChIKey of acetic acid;2-aminopropanoic acid;azane?
The InChIKey is JKSYCZBKSSSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.3C2H4O2.H3N/c1-2(4)3(5)6;3*1-2(3)4;/h2H,4H2,1H3,(H,5,6);3*1H3,(H,3,4);1H3.
What are the key properties of acetic acid;2-aminopropanoic acid;azane?
acetic acid;2-aminopropanoic acid;azane has a molecular weight of 286.28 g/mol, XLogP of -0.15, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-aminopropanoic acid;azane is sourced from PubChem (CID 175391326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).