4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid

C12H17NO3 — CID 154943553

IUPAC4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
SMILESCC(C)OCCC(C(=O)O)c1cccnc1
InChIInChI=1S/C12H17NO3/c1-9(2)16-7-5-11(12(14)15)10-4-3-6-13-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,14,15)
InChIKeySFFFRLXXRMEOSV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.06
Rot. Bonds6

About 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid

4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid (PubChem CID 154943553) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
PubChem CID154943553
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
SMILESCC(C)OCCC(C(=O)O)c1cccnc1
InChIInChI=1S/C12H17NO3/c1-9(2)16-7-5-11(12(14)15)10-4-3-6-13-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,14,15)
InChIKeySFFFRLXXRMEOSV-UHFFFAOYSA-N
XLogP2.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
3-[1-[1-[4-(2-propan-2-yloxyethyl)phenyl]propan-2-yloxy]ethyl]pyridine
CID 134383107
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
4-methoxy-2-(1-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 62480423

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid (CID 154943553) is 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid is CC(C)OCCC(C(=O)O)c1cccnc1.
What is the InChIKey of 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid?
The InChIKey is SFFFRLXXRMEOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)16-7-5-11(12(14)15)10-4-3-6-13-8-10/h3-4,6,8-9,11H,5,7H2,1-2H3,(H,14,15).
What are the key properties of 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid?
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid has a molecular weight of 223.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 154943553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).