3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C10H14O4 — CID 14477112

IUPAC3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)CC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C10H14O4/c11-8(12)4-7-5-1-2-6(3-5)9(7)10(13)14/h5-7,9H,1-4H2,(H,11,12)(H,13,14)
InChIKeyYTTXRLCAEZMYKS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.21
Rot. Bonds3

About 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 14477112) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID14477112
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)CC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C10H14O4/c11-8(12)4-7-5-1-2-6(3-5)9(7)10(13)14/h5-7,9H,1-4H2,(H,11,12)(H,13,14)
InChIKeyYTTXRLCAEZMYKS-UHFFFAOYSA-N
XLogP1.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Norbornanedicarboxylic acid
CID 99835
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
CID 99843
(1R,2R,3S,1'R)-Nepetalinic acid
CID 15560389
Bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79113
Norborn-2-ylacetic acid
CID 79139
4,7-Methano-1H-indene-2,5-dicarboxylic acid, octahydro-
CID 255595
Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid
CID 2733865
Bicyclo(2.2.1)heptane-7-carboxylic acid
CID 12757495
rac-2-((1R,2S,4S)-bicyclo(2.2.1)heptan-2-yl)acetic acid
CID 21674516
octahydro-4,7-methano-1H-indene-2-carboxylic acid
CID 98132
2-Methylbicyclo(2.2.1)heptane-2-carboxylic acid
CID 122552
rac-(1R,2R,4S)-bicyclo(2.2.1)heptane-2-carboxylic acid
CID 946560

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 14477112) is 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)CC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YTTXRLCAEZMYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-8(12)4-7-5-1-2-6(3-5)9(7)10(13)14/h5-7,9H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 14477112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).