2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid

C9H14O2 — CID 11457802

IUPAC2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESO=C(O)CC1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/t6-,7+,8?/m1/s1
InChIKeyFYHBMPWRHCWNBC-KVARREAHSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid

2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 11457802) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID11457802
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESO=C(O)CC1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/t6-,7+,8?/m1/s1
InChIKeyFYHBMPWRHCWNBC-KVARREAHSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
CID 79848948
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311521
2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]propanedinitrile
CID 112732099
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116575895

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 11457802) is 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid is O=C(O)CC1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is FYHBMPWRHCWNBC-KVARREAHSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/t6-,7+,8?/m1/s1.
What are the key properties of 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid?
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 11457802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).