2-(aminomethyl)-5,6-dimethylheptanoic acid

C10H21NO2 — CID 142907975

IUPAC2-(aminomethyl)-5,6-dimethylheptanoic acid
SMILESCC(C)C(C)CCC(CN)C(=O)O
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)4-5-9(6-11)10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyVDMCWRAUGBRBOY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds6

About 2-(aminomethyl)-5,6-dimethylheptanoic acid

2-(aminomethyl)-5,6-dimethylheptanoic acid (PubChem CID 142907975) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(aminomethyl)-5,6-dimethylheptanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5,6-dimethylheptanoic acid
PubChem CID142907975
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(aminomethyl)-5,6-dimethylheptanoic acid
SMILESCC(C)C(C)CCC(CN)C(=O)O
InChIInChI=1S/C10H21NO2/c1-7(2)8(3)4-5-9(6-11)10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyVDMCWRAUGBRBOY-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
2-(aminomethyl)-4-methylsulfanylbutanoic acid
CID 55297456
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-(aminomethyl)-3-fluoropropanoic acid
CID 20508331
(2R)-2-(aminomethyl)-3-hydroxypropanoic acid
CID 46936524
2-(aminomethyl)-5,5-dimethylheptanoic acid
CID 87760218
2-(aminomethyl)-3-(dimethylamino)propanoic acid
CID 151961151
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
CID 68870826

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,6-dimethylheptanoic acid?
The IUPAC name of 2-(aminomethyl)-5,6-dimethylheptanoic acid (CID 142907975) is 2-(aminomethyl)-5,6-dimethylheptanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5,6-dimethylheptanoic acid?
The canonical SMILES for 2-(aminomethyl)-5,6-dimethylheptanoic acid is CC(C)C(C)CCC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5,6-dimethylheptanoic acid?
The InChIKey is VDMCWRAUGBRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)8(3)4-5-9(6-11)10(12)13/h7-9H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-5,6-dimethylheptanoic acid?
2-(aminomethyl)-5,6-dimethylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,6-dimethylheptanoic acid is sourced from PubChem (CID 142907975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).