2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid

C9H14O3 — CID 167305094

IUPAC2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
SMILESO=C(O)C1(CO)CCCC2CC21
InChIInChI=1S/C9H14O3/c10-5-9(8(11)12)3-1-2-6-4-7(6)9/h6-7,10H,1-5H2,(H,11,12)
InChIKeyBZYASACBIJXXIB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.87
Rot. Bonds2

About 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid

2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid (PubChem CID 167305094) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
PubChem CID167305094
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
SMILESO=C(O)C1(CO)CCCC2CC21
InChIInChI=1S/C9H14O3/c10-5-9(8(11)12)3-1-2-6-4-7(6)9/h6-7,10H,1-5H2,(H,11,12)
InChIKeyBZYASACBIJXXIB-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
cis-(1S,2R)-1-(3-aminopropyl)-2-sulfanylcyclopentane-1-carboxylic acid
CID 87573771
cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
CID 10535426
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)propan-1-one
CID 174549331
trans-(1S,2R)-1,2-bis(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 70114755
1-(4-hydroxybutyl)cyclohexane-1,2-dicarboxylic acid
CID 90859114
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
CID 178190756

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid (CID 167305094) is 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid is O=C(O)C1(CO)CCCC2CC21.
What is the InChIKey of 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid?
The InChIKey is BZYASACBIJXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-5-9(8(11)12)3-1-2-6-4-7(6)9/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid?
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid is sourced from PubChem (CID 167305094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).