(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride

C11H24ClNO2 — CID 87481836

IUPAC(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
SMILESCCCC[C@@H](C)CC(CN)CC(=O)O.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-3-4-5-9(2)6-10(8-12)7-11(13)14;/h9-10H,3-8,12H2,1-2H3,(H,13,14);1H/t9-,10?;/m1./s1
InChIKeyKLKFGGPASVHVMO-UVUXOWFKSA-N
MW237.77 g/mol
LogP2.67
Rot. Bonds8

About (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride

(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride (PubChem CID 87481836) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
PubChem CID87481836
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride
SMILESCCCC[C@@H](C)CC(CN)CC(=O)O.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-3-4-5-9(2)6-10(8-12)7-11(13)14;/h9-10H,3-8,12H2,1-2H3,(H,13,14);1H/t9-,10?;/m1./s1
InChIKeyKLKFGGPASVHVMO-UVUXOWFKSA-N
XLogP2.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-3-(aminomethyl)-5-methylnonanoic acid
CID 57044526
(3S,5S)-3-(aminomethyl)-5-methyloctanoic acid
CID 57024808
(3S,5R)-3-(aminomethyl)-5,9-dimethyldecanoic acid
CID 53241384
3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
(3S)-3-[(2-aminoacetyl)amino]-5-methylnonanoic acid
CID 87609363
2-ethyl-4-methyloctan-1-amine
CID 21358746
10-butyl-3-hexyl-5-methyltetradecanedioic acid
CID 87184650
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(3S)-3-(aminomethyl)-6-(fluoromethoxy)-5-methylhexanoic acid
CID 57144056
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylnonanoic acid
CID 87608945
(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 87482547
(3S,5R)-3-(aminomethyl)-5-methylheptanoic acid;ethyl acetate
CID 160547698

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride?
The IUPAC name of (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride (CID 87481836) is (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride.
What is the SMILES notation for (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride?
The canonical SMILES for (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride is CCCC[C@@H](C)CC(CN)CC(=O)O.Cl.
What is the InChIKey of (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride?
The InChIKey is KLKFGGPASVHVMO-UVUXOWFKSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-3-4-5-9(2)6-10(8-12)7-11(13)14;/h9-10H,3-8,12H2,1-2H3,(H,13,14);1H/t9-,10?;/m1./s1.
What are the key properties of (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride?
(3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(aminomethyl)-5-methylnonanoic acid;hydrochloride is sourced from PubChem (CID 87481836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).