(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride

C9H20ClNO2 — CID 11701275

IUPAC(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
SMILESCCC[C@@H](C)C[C@H](N)CC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-4-7(2)5-8(10)6-9(11)12;/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1
InChIKeyCFMZXQJDAJXNHS-WLYNEOFISA-N
MW209.72 g/mol
LogP2.04
Rot. Bonds6

About (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride

(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride (PubChem CID 11701275) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
PubChem CID11701275
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
SMILESCCC[C@@H](C)C[C@H](N)CC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-4-7(2)5-8(10)6-9(11)12;/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1
InChIKeyCFMZXQJDAJXNHS-WLYNEOFISA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
CID 57408903
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
5-methyloctan-3-amine
CID 62599907
2-(2,4,6-trimethylnonyl)butanedioic acid
CID 89474289
3-amino-9-methoxy-5,9-dimethyldecanoic acid
CID 170872504
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3S,5R)-5-amino-3,8-dimethylnonanoic acid
CID 125425710
butane-1,2,3,4-tetracarboxylic acid;tetrakis(2,4-dimethylheptanamide)
CID 173380506
2-aminoacetic acid;4-methylheptane
CID 143106228

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride?
The IUPAC name of (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride (CID 11701275) is (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride.
What is the SMILES notation for (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride?
The canonical SMILES for (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride is CCC[C@@H](C)C[C@H](N)CC(=O)O.Cl.
What is the InChIKey of (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride?
The InChIKey is CFMZXQJDAJXNHS-WLYNEOFISA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-3-4-7(2)5-8(10)6-9(11)12;/h7-8H,3-6,10H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1.
What are the key properties of (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride?
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride is sourced from PubChem (CID 11701275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).