tert-butyl (2S)-2-aminohexanoate;hydrochloride

C10H22ClNO2 — CID 86590451

IUPACtert-butyl (2S)-2-aminohexanoate;hydrochloride
SMILESCCCC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-5-6-7-8(11)9(12)13-10(2,3)4;/h8H,5-7,11H2,1-4H3;1H/t8-;/m0./s1
InChIKeyYWUGPFDZLBSQBJ-QRPNPIFTSA-N
MW223.74 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl (2S)-2-aminohexanoate;hydrochloride

tert-butyl (2S)-2-aminohexanoate;hydrochloride (PubChem CID 86590451) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl (2S)-2-aminohexanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-aminohexanoate;hydrochloride
PubChem CID86590451
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl (2S)-2-aminohexanoate;hydrochloride
SMILESCCCC[C@H](N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-5-6-7-8(11)9(12)13-10(2,3)4;/h8H,5-7,11H2,1-4H3;1H/t8-;/m0./s1
InChIKeyYWUGPFDZLBSQBJ-QRPNPIFTSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-2-aminohexanoate;hydrochloride 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

tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2-butyloctanoate
CID 141041345
acetic acid;7-O-tert-butyl 1-O-methyl (2S)-2,6-diaminoheptanedioate
CID 88744154
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-aminohexanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-aminohexanoate;hydrochloride (CID 86590451) is tert-butyl (2S)-2-aminohexanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-aminohexanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-aminohexanoate;hydrochloride is CCCC[C@H](N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-aminohexanoate;hydrochloride?
The InChIKey is YWUGPFDZLBSQBJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-5-6-7-8(11)9(12)13-10(2,3)4;/h8H,5-7,11H2,1-4H3;1H/t8-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-aminohexanoate;hydrochloride?
tert-butyl (2S)-2-aminohexanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-aminohexanoate;hydrochloride is sourced from PubChem (CID 86590451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).