2-(1-bicyclo[2.2.1]heptanyl)acetic acid

C9H14O2 — CID 15634960

IUPAC2-(1-bicyclo[2.2.1]heptanyl)acetic acid
SMILESO=C(O)CC12CCC(CC1)C2
InChIInChI=1S/C9H14O2/c10-8(11)6-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H,10,11)
InChIKeyNINSZYGJYPCNRP-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.04
Rot. Bonds2

About 2-(1-bicyclo[2.2.1]heptanyl)acetic acid

2-(1-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 15634960) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID15634960
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(1-bicyclo[2.2.1]heptanyl)acetic acid
SMILESO=C(O)CC12CCC(CC1)C2
InChIInChI=1S/C9H14O2/c10-8(11)6-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H,10,11)
InChIKeyNINSZYGJYPCNRP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)acetic acid (CID 15634960) is 2-(1-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanyl)acetic acid is O=C(O)CC12CCC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is NINSZYGJYPCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8(11)6-9-3-1-7(5-9)2-4-9/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(1-bicyclo[2.2.1]heptanyl)acetic acid?
2-(1-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 154.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 15634960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).