(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride

C10H18ClN3O2 — CID 90679617

IUPAC(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride
SMILESCCCC[C@](N)(Cc1cnc[nH]1)C(=O)O.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-2-3-4-10(11,9(14)15)5-8-6-12-7-13-8;/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15);1H/t10-;/m0./s1
InChIKeyHJZUWTUPEYMCKM-PPHPATTJSA-N
MW247.73 g/mol
LogP1.35
Rot. Bonds6

About (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride

(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride (PubChem CID 90679617) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride
PubChem CID90679617
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride
SMILESCCCC[C@](N)(Cc1cnc[nH]1)C(=O)O.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-2-3-4-10(11,9(14)15)5-8-6-12-7-13-8;/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15);1H/t10-;/m0./s1
InChIKeyHJZUWTUPEYMCKM-PPHPATTJSA-N
XLogP1.35
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride 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 (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride (CID 90679617) is (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride is CCCC[C@](N)(Cc1cnc[nH]1)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride?
The InChIKey is HJZUWTUPEYMCKM-PPHPATTJSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-2-3-4-10(11,9(14)15)5-8-6-12-7-13-8;/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride?
(2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1H-imidazol-5-ylmethyl)hexanoic acid;hydrochloride is sourced from PubChem (CID 90679617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).