4-aminoadamantane-1-carboxylic acid;hydrochloride

C11H18ClNO2 — CID 67549103

IUPAC4-aminoadamantane-1-carboxylic acid;hydrochloride
SMILESCl.NC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C11H17NO2.ClH/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h6-9H,1-5,12H2,(H,13,14);1H
InChIKeyPYPMBCTWOYDNBV-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.65
Rot. Bonds1

About 4-aminoadamantane-1-carboxylic acid;hydrochloride

4-aminoadamantane-1-carboxylic acid;hydrochloride (PubChem CID 67549103) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 4-aminoadamantane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-aminoadamantane-1-carboxylic acid;hydrochloride
PubChem CID67549103
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name4-aminoadamantane-1-carboxylic acid;hydrochloride
SMILESCl.NC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C11H17NO2.ClH/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h6-9H,1-5,12H2,(H,13,14);1H
InChIKeyPYPMBCTWOYDNBV-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-aminoadamantane-1-carboxylic acid;4-oxoadamantane-1-carboxylic acid
CID 159203089
7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid
CID 123454961
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
adamantane-1-carboxylic acid;cobalt
CID 174948331
4-methoxyadamantane-1-carboxylic acid
CID 12598764
4-isocyanoadamantane-1-carboxylic acid
CID 87472611
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
4-formamidoadamantane-1-carboxylic acid
CID 87081591
acetic acid;adamantane-1-carboxylic acid
CID 67530595
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
CID 66863401

Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-aminoadamantane-1-carboxylic acid;hydrochloride (CID 67549103) is 4-aminoadamantane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-aminoadamantane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-aminoadamantane-1-carboxylic acid;hydrochloride is Cl.NC1C2CC3CC1CC(C(=O)O)(C3)C2.
What is the InChIKey of 4-aminoadamantane-1-carboxylic acid;hydrochloride?
The InChIKey is PYPMBCTWOYDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h6-9H,1-5,12H2,(H,13,14);1H.
What are the key properties of 4-aminoadamantane-1-carboxylic acid;hydrochloride?
4-aminoadamantane-1-carboxylic acid;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminoadamantane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67549103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).