(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride

C7H17ClN2O2 — CID 55250431

IUPAC(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride
SMILESCN[C@@H](CCCCN)C(=O)O.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-9-6(7(10)11)4-2-3-5-8;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
InChIKeyLWUKQYOOMILVOV-RGMNGODLSA-N
MW196.68 g/mol
LogP0.21
Rot. Bonds6

About (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride

(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride (PubChem CID 55250431) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride
PubChem CID55250431
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Name(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride
SMILESCN[C@@H](CCCCN)C(=O)O.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-9-6(7(10)11)4-2-3-5-8;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
InChIKeyLWUKQYOOMILVOV-RGMNGODLSA-N
XLogP0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pipecolic Acid
CID 849
epsilon-Acetyl-L-lysine
CID 92832
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
N-Acetyl-L-Lysine
CID 92907
L-Lysine monohydrochloride
CID 69568
epsilon-Methyl-L-lysine
CID 164795
Trimethyllysine
CID 440121
Nepsilon-(Carboxymethyl)lysine
CID 123800
Lysine hydrochloride, DL-
CID 12047
Lysine hydrochloride, D-
CID 81691
N(6),N(6)-Dimethyl-L-lysine
CID 193344

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride?
The IUPAC name of (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride (CID 55250431) is (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride.
What is the SMILES notation for (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride?
The canonical SMILES for (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride is CN[C@@H](CCCCN)C(=O)O.Cl.
What is the InChIKey of (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride?
The InChIKey is LWUKQYOOMILVOV-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-9-6(7(10)11)4-2-3-5-8;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1.
What are the key properties of (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride?
(2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride is sourced from PubChem (CID 55250431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).