3-amino-4,5-diethyl-6-methylheptanoic acid

C12H25NO2 — CID 11321870

IUPAC3-amino-4,5-diethyl-6-methylheptanoic acid
SMILESCCC(C(C)C)C(CC)C(N)CC(=O)O
InChIInChI=1S/C12H25NO2/c1-5-9(8(3)4)10(6-2)11(13)7-12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyHJGXIZHVAOYISL-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds7

About 3-amino-4,5-diethyl-6-methylheptanoic acid

3-amino-4,5-diethyl-6-methylheptanoic acid (PubChem CID 11321870) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-4,5-diethyl-6-methylheptanoic acid.

Molecular Properties

Compound Name3-amino-4,5-diethyl-6-methylheptanoic acid
PubChem CID11321870
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-amino-4,5-diethyl-6-methylheptanoic acid
SMILESCCC(C(C)C)C(CC)C(N)CC(=O)O
InChIInChI=1S/C12H25NO2/c1-5-9(8(3)4)10(6-2)11(13)7-12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15)
InChIKeyHJGXIZHVAOYISL-UHFFFAOYSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
3-amino-4-sulfanylpentanoic acid
CID 57282100
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
azane;3,4-diaminopentanoic acid
CID 173404371
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
3-amino-6-ethyl-4-methylnonanoic acid
CID 11390279
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-diethyl-6-methylheptanoic acid?
The IUPAC name of 3-amino-4,5-diethyl-6-methylheptanoic acid (CID 11321870) is 3-amino-4,5-diethyl-6-methylheptanoic acid.
What is the SMILES notation for 3-amino-4,5-diethyl-6-methylheptanoic acid?
The canonical SMILES for 3-amino-4,5-diethyl-6-methylheptanoic acid is CCC(C(C)C)C(CC)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,5-diethyl-6-methylheptanoic acid?
The InChIKey is HJGXIZHVAOYISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-9(8(3)4)10(6-2)11(13)7-12(14)15/h8-11H,5-7,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-4,5-diethyl-6-methylheptanoic acid?
3-amino-4,5-diethyl-6-methylheptanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-diethyl-6-methylheptanoic acid is sourced from PubChem (CID 11321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).