1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid

C10H11NO3 — CID 116836352

IUPAC1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2cccnc2)CC1
InChIInChI=1S/C10H11NO3/c12-8(7-2-1-5-11-6-7)10(3-4-10)9(13)14/h1-2,5-6,8,12H,3-4H2,(H,13,14)
InChIKeyCTNRFYBDKKPLRJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.98
Rot. Bonds3

About 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid

1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116836352) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116836352
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2cccnc2)CC1
InChIInChI=1S/C10H11NO3/c12-8(7-2-1-5-11-6-7)10(3-4-10)9(13)14/h1-2,5-6,8,12H,3-4H2,(H,13,14)
InChIKeyCTNRFYBDKKPLRJ-UHFFFAOYSA-N
XLogP0.98
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80604094
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
CID 79074201
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
(R)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736549
(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
CID 34177358
(S)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736548
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid (CID 116836352) is 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(O)c2cccnc2)CC1.
What is the InChIKey of 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CTNRFYBDKKPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8(7-2-1-5-11-6-7)10(3-4-10)9(13)14/h1-2,5-6,8,12H,3-4H2,(H,13,14).
What are the key properties of 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid?
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116836352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).