acetic acid;3-pyridin-4-ylpropanoic acid

C10H13NO4 — CID 71346900

IUPACacetic acid;3-pyridin-4-ylpropanoic acid
SMILESCC(=O)O.O=C(O)CCc1ccncc1
InChIInChI=1S/C8H9NO2.C2H4O2/c10-8(11)2-1-7-3-5-9-6-4-7;1-2(3)4/h3-6H,1-2H2,(H,10,11);1H3,(H,3,4)
InChIKeyODSRSJGBCBQXOG-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.19
Rot. Bonds3

About acetic acid;3-pyridin-4-ylpropanoic acid

acetic acid;3-pyridin-4-ylpropanoic acid (PubChem CID 71346900) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is acetic acid;3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Nameacetic acid;3-pyridin-4-ylpropanoic acid
PubChem CID71346900
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameacetic acid;3-pyridin-4-ylpropanoic acid
SMILESCC(=O)O.O=C(O)CCc1ccncc1
InChIInChI=1S/C8H9NO2.C2H4O2/c10-8(11)2-1-7-3-5-9-6-4-7;1-2(3)4/h3-6H,1-2H2,(H,10,11);1H3,(H,3,4)
InChIKeyODSRSJGBCBQXOG-UHFFFAOYSA-N
XLogP1.19
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-pyridin-4-ylhexanoic acid
CID 12904562
5-methyl-1-pyridin-4-ylhex-4-en-3-one
CID 105112745
3-pyridin-4-ylpropanoyl iodide
CID 171810746
methyl 3-pyridin-4-ylpropanoate
CID 3704115
4-(2-carboxyethyl)phenolate
CID 101364536
N-(4-pyridin-4-ylbutan-2-ylidene)hydroxylamine
CID 76539650
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
lanthanum;3-phenylpropanoic acid
CID 174887955
5-pyridin-4-ylpent-1-yn-3-one
CID 105108150
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-pyridin-4-ylpropanoic acid?
The IUPAC name of acetic acid;3-pyridin-4-ylpropanoic acid (CID 71346900) is acetic acid;3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for acetic acid;3-pyridin-4-ylpropanoic acid?
The canonical SMILES for acetic acid;3-pyridin-4-ylpropanoic acid is CC(=O)O.O=C(O)CCc1ccncc1.
What is the InChIKey of acetic acid;3-pyridin-4-ylpropanoic acid?
The InChIKey is ODSRSJGBCBQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H4O2/c10-8(11)2-1-7-3-5-9-6-4-7;1-2(3)4/h3-6H,1-2H2,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;3-pyridin-4-ylpropanoic acid?
acetic acid;3-pyridin-4-ylpropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 71346900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).