2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid

C14H20O5 — CID 11834910

IUPAC2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid
SMILESO=C(O)CC12CC3CC(O)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H20O5/c15-10(16)4-12-1-9-2-13(6-12,5-11(17)18)8-14(19,3-9)7-12/h9,19H,1-8H2,(H,15,16)(H,17,18)
InChIKeyPBFDCHBAPSMDKB-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.64
Rot. Bonds4

About 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid

2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid (PubChem CID 11834910) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid
PubChem CID11834910
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid
SMILESO=C(O)CC12CC3CC(O)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H20O5/c15-10(16)4-12-1-9-2-13(6-12,5-11(17)18)8-14(19,3-9)7-12/h9,19H,1-8H2,(H,15,16)(H,17,18)
InChIKeyPBFDCHBAPSMDKB-UHFFFAOYSA-N
XLogP1.64
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid (CID 11834910) is 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid is O=C(O)CC12CC3CC(O)(C1)CC(CC(=O)O)(C3)C2.
What is the InChIKey of 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid?
The InChIKey is PBFDCHBAPSMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c15-10(16)4-12-1-9-2-13(6-12,5-11(17)18)8-14(19,3-9)7-12/h9,19H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid?
2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-5-hydroxy-1-adamantyl]acetic acid is sourced from PubChem (CID 11834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).