2-(2-adamantylamino)acetic acid;hydrochloride

C12H20ClNO2 — CID 163342547

IUPAC2-(2-adamantylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19NO2.ClH/c14-11(15)6-13-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12-13H,1-6H2,(H,14,15);1H
InChIKeySTIDLFRFNMRXFZ-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-adamantylamino)acetic acid;hydrochloride

2-(2-adamantylamino)acetic acid;hydrochloride (PubChem CID 163342547) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(2-adamantylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-adamantylamino)acetic acid;hydrochloride
PubChem CID163342547
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-(2-adamantylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19NO2.ClH/c14-11(15)6-13-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12-13H,1-6H2,(H,14,15);1H
InChIKeySTIDLFRFNMRXFZ-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(2-adamantylamino)acetic acid;hydrochloride (CID 163342547) is 2-(2-adamantylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-adamantylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-adamantylamino)acetic acid;hydrochloride is Cl.O=C(O)CNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)acetic acid;hydrochloride?
The InChIKey is STIDLFRFNMRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c14-11(15)6-13-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12-13H,1-6H2,(H,14,15);1H.
What are the key properties of 2-(2-adamantylamino)acetic acid;hydrochloride?
2-(2-adamantylamino)acetic acid;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)acetic acid;hydrochloride is sourced from PubChem (CID 163342547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).