3-amino-5-methylnonanoic acid;hydrochloride

C10H22ClNO2 — CID 75078744

IUPAC3-amino-5-methylnonanoic acid;hydrochloride
SMILESCCCCC(C)CC(N)CC(=O)O.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H
InChIKeyFYCSIYCCNLNGLF-UHFFFAOYSA-N
MW223.74 g/mol
LogP2.43
Rot. Bonds7

About 3-amino-5-methylnonanoic acid;hydrochloride

3-amino-5-methylnonanoic acid;hydrochloride (PubChem CID 75078744) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is 3-amino-5-methylnonanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-5-methylnonanoic acid;hydrochloride
PubChem CID75078744
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name3-amino-5-methylnonanoic acid;hydrochloride
SMILESCCCCC(C)CC(N)CC(=O)O.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H
InChIKeyFYCSIYCCNLNGLF-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
CID 57408903
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
CID 87481836
(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
CID 87609363
tert-butyl (3S,5R)-3-amino-5-methylnonanoate
CID 86594296
3-amino-9-methoxy-5,9-dimethyldecanoic acid
CID 170872504
3-aminononanoic acid
CID 2832746
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
3-methyloctanoic acid
CID 5312327
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylnonanoic acid;hydrochloride?
The IUPAC name of 3-amino-5-methylnonanoic acid;hydrochloride (CID 75078744) is 3-amino-5-methylnonanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-5-methylnonanoic acid;hydrochloride?
The canonical SMILES for 3-amino-5-methylnonanoic acid;hydrochloride is CCCCC(C)CC(N)CC(=O)O.Cl.
What is the InChIKey of 3-amino-5-methylnonanoic acid;hydrochloride?
The InChIKey is FYCSIYCCNLNGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-3-4-5-8(2)6-9(11)7-10(12)13;/h8-9H,3-7,11H2,1-2H3,(H,12,13);1H.
What are the key properties of 3-amino-5-methylnonanoic acid;hydrochloride?
3-amino-5-methylnonanoic acid;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylnonanoic acid;hydrochloride is sourced from PubChem (CID 75078744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).