(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid

C10H14O3 — CID 124639170

IUPAC(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid
SMILESC[C@@H](C(=O)O)C1CC2CCC1C2=O
InChIInChI=1S/C10H14O3/c1-5(10(12)13)8-4-6-2-3-7(8)9(6)11/h5-8H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8?/m1/s1
InChIKeyWAPJXMZXOOEMHD-NIYQRSRNSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds2

About (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid

(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid (PubChem CID 124639170) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid
PubChem CID124639170
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid
SMILESC[C@@H](C(=O)O)C1CC2CCC1C2=O
InChIInChI=1S/C10H14O3/c1-5(10(12)13)8-4-6-2-3-7(8)9(6)11/h5-8H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8?/m1/s1
InChIKeyWAPJXMZXOOEMHD-NIYQRSRNSA-N
XLogP1.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10607594
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CID 130898751
2-(2-tert-butylcyclopropyl)propanoic acid
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2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
3-[(1S)-1-hydroxyethyl]bicyclo[3.2.1]octan-2-one
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(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
CID 131215292
(2S)-2-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]propanoic acid
CID 57371256
2-(2,4,6-trimethylcyclohexyl)propanoic acid
CID 54402316
bicyclo[2.1.0]pentane;2-methylpropanoic acid
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2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid?
The IUPAC name of (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid (CID 124639170) is (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid.
What is the SMILES notation for (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid?
The canonical SMILES for (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid is C[C@@H](C(=O)O)C1CC2CCC1C2=O.
What is the InChIKey of (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid?
The InChIKey is WAPJXMZXOOEMHD-NIYQRSRNSA-N. The full InChI is InChI=1S/C10H14O3/c1-5(10(12)13)8-4-6-2-3-7(8)9(6)11/h5-8H,2-4H2,1H3,(H,12,13)/t5-,6?,7?,8?/m1/s1.
What are the key properties of (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid?
(2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-oxo-2-bicyclo[2.2.1]heptanyl)propanoic acid is sourced from PubChem (CID 124639170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).