4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride

C14H24ClNO2 — CID 2941690

IUPAC4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2.ClH/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14;/h9-12H,1-8,15H2,(H,16,17);1H
InChIKeyGHNYJEHVMLJHAP-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.82
Rot. Bonds4

About 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride

4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride (PubChem CID 2941690) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
PubChem CID2941690
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
SMILESCl.NC(CCC(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO2.ClH/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14;/h9-12H,1-8,15H2,(H,16,17);1H
InChIKeyGHNYJEHVMLJHAP-UHFFFAOYSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride?
The IUPAC name of 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride (CID 2941690) is 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride.
What is the SMILES notation for 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride?
The canonical SMILES for 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride is Cl.NC(CCC(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride?
The InChIKey is GHNYJEHVMLJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14;/h9-12H,1-8,15H2,(H,16,17);1H.
What are the key properties of 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride?
4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride is sourced from PubChem (CID 2941690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).