3-amino-4,5,6-trimethylheptanoic acid

C10H21NO2 — CID 11367460

IUPAC3-amino-4,5,6-trimethylheptanoic acid
SMILESCC(C)C(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-6(2)7(3)8(4)9(11)5-10(12)13/h6-9H,5,11H2,1-4H3,(H,12,13)
InChIKeyRGIJUMRDXZYMFP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-4,5,6-trimethylheptanoic acid

3-amino-4,5,6-trimethylheptanoic acid (PubChem CID 11367460) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-amino-4,5,6-trimethylheptanoic acid.

Molecular Properties

Compound Name3-amino-4,5,6-trimethylheptanoic acid
PubChem CID11367460
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-amino-4,5,6-trimethylheptanoic acid
SMILESCC(C)C(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-6(2)7(3)8(4)9(11)5-10(12)13/h6-9H,5,11H2,1-4H3,(H,12,13)
InChIKeyRGIJUMRDXZYMFP-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3-amino-4,5,7-trimethyloctanoic acid
CID 11435610
azane;3,4-diaminopentanoic acid
CID 173404371
3-amino-4-sulfanylpentanoic acid
CID 57282100
3-amino-4,5-diethyl-6-methylheptanoic acid
CID 11321870
bis((3R,4R,5R)-3-amino-4,5-dimethyloctanoic acid);hydrochloride
CID 143112530
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
3-carbamoyl-4,5-dimethylhexanoic acid
CID 145216564
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
4-amino-3,5-dimethylhexanoic acid
CID 102537839
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
(3R)-3-amino-4-ethylhexanoic acid
CID 738110

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,6-trimethylheptanoic acid?
The IUPAC name of 3-amino-4,5,6-trimethylheptanoic acid (CID 11367460) is 3-amino-4,5,6-trimethylheptanoic acid.
What is the SMILES notation for 3-amino-4,5,6-trimethylheptanoic acid?
The canonical SMILES for 3-amino-4,5,6-trimethylheptanoic acid is CC(C)C(C)C(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,5,6-trimethylheptanoic acid?
The InChIKey is RGIJUMRDXZYMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6(2)7(3)8(4)9(11)5-10(12)13/h6-9H,5,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-4,5,6-trimethylheptanoic acid?
3-amino-4,5,6-trimethylheptanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,6-trimethylheptanoic acid is sourced from PubChem (CID 11367460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).