2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride

C9H20ClNO2 — CID 175042752

IUPAC2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
SMILESCCC(CC)CC(C)(N)C(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-7(5-2)6-9(3,10)8(11)12;/h7H,4-6,10H2,1-3H3,(H,11,12);1H
InChIKeyHBQDRWPBCWHETG-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride

2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride (PubChem CID 175042752) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
PubChem CID175042752
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
SMILESCCC(CC)CC(C)(N)C(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-7(5-2)6-9(3,10)8(11)12;/h7H,4-6,10H2,1-3H3,(H,11,12);1H
InChIKeyHBQDRWPBCWHETG-UHFFFAOYSA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
(2S)-2-amino-4-ethyl-2-methylhexanoic acid;benzenesulfonic acid
CID 86608884
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165
(3S)-3-amino-5-ethyl-3-methylheptanoic acid
CID 87761055
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
CID 151160778
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-5-ethyl-2,8-dimethylnonanoic acid
CID 152728228
2-amino-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 150246943
2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
CID 150561865
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrahydroxyphenyl)heptanoic acid
CID 151028605

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride?
The IUPAC name of 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride (CID 175042752) is 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride is CCC(CC)CC(C)(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride?
The InChIKey is HBQDRWPBCWHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-4-7(5-2)6-9(3,10)8(11)12;/h7H,4-6,10H2,1-3H3,(H,11,12);1H.
What are the key properties of 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride?
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride is sourced from PubChem (CID 175042752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).