acetic acid;azane;propan-2-one

C5H13NO3 — CID 174728402

IUPACacetic acid;azane;propan-2-one
SMILESCC(=O)O.CC(C)=O.N
InChIInChI=1S/C3H6O.C2H4O2.H3N/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H,3,4);1H3
InChIKeyUPVKGNYCABDVRG-UHFFFAOYSA-N
MW135.16 g/mol
LogP0.85
Rot. Bonds

About acetic acid;azane;propan-2-one

acetic acid;azane;propan-2-one (PubChem CID 174728402) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is acetic acid;azane;propan-2-one.

Molecular Properties

Compound Nameacetic acid;azane;propan-2-one
PubChem CID174728402
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Nameacetic acid;azane;propan-2-one
SMILESCC(=O)O.CC(C)=O.N
InChIInChI=1S/C3H6O.C2H4O2.H3N/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H,3,4);1H3
InChIKeyUPVKGNYCABDVRG-UHFFFAOYSA-N
XLogP0.85
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175328207
CID 175328207
hexasodium;acetic acid;azane;hydride
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acetic acid;stibane
CID 174267479
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
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CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;propan-2-one?
The IUPAC name of acetic acid;azane;propan-2-one (CID 174728402) is acetic acid;azane;propan-2-one.
What is the SMILES notation for acetic acid;azane;propan-2-one?
The canonical SMILES for acetic acid;azane;propan-2-one is CC(=O)O.CC(C)=O.N.
What is the InChIKey of acetic acid;azane;propan-2-one?
The InChIKey is UPVKGNYCABDVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O2.H3N/c1-3(2)4;1-2(3)4;/h1-2H3;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;propan-2-one?
acetic acid;azane;propan-2-one has a molecular weight of 135.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;propan-2-one is sourced from PubChem (CID 174728402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).