adamantane-1-carboxylic acid;hydrobromide

C11H17BrO2 — CID 175234233

IUPACadamantane-1-carboxylic acid;hydrobromide
SMILESBr.O=C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16O2.BrH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);1H
InChIKeyXLNANUINJSYTSE-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.87
Rot. Bonds1

About adamantane-1-carboxylic acid;hydrobromide

adamantane-1-carboxylic acid;hydrobromide (PubChem CID 175234233) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is adamantane-1-carboxylic acid;hydrobromide.

Molecular Properties

Compound Nameadamantane-1-carboxylic acid;hydrobromide
PubChem CID175234233
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Nameadamantane-1-carboxylic acid;hydrobromide
SMILESBr.O=C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H16O2.BrH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);1H
InChIKeyXLNANUINJSYTSE-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze adamantane-1-carboxylic acid;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

adamantane-1-carboxylic acid;cobalt
CID 174948331
acetic acid;adamantane-1-carboxylic acid
CID 67530595
bis(adamantane-1-carboxylic acid);iodobenzene
CID 175091348
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
adamantane-1-carboxylic acid;benzamide
CID 175381809
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
4-methoxyadamantane-1-carboxylic acid
CID 12598764
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-dicarboxylic acid
CID 13022294
4-isocyanoadamantane-1-carboxylic acid
CID 87472611
adamantane-1-carboxamide
CID 21686
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
2,4,9-trithiatricyclo[3.3.1.13,7]decane-7-carboxylic acid
CID 57426993

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylic acid;hydrobromide?
The IUPAC name of adamantane-1-carboxylic acid;hydrobromide (CID 175234233) is adamantane-1-carboxylic acid;hydrobromide.
What is the SMILES notation for adamantane-1-carboxylic acid;hydrobromide?
The canonical SMILES for adamantane-1-carboxylic acid;hydrobromide is Br.O=C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane-1-carboxylic acid;hydrobromide?
The InChIKey is XLNANUINJSYTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.BrH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H,12,13);1H.
What are the key properties of adamantane-1-carboxylic acid;hydrobromide?
adamantane-1-carboxylic acid;hydrobromide has a molecular weight of 261.16 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylic acid;hydrobromide is sourced from PubChem (CID 175234233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).