3-amino-4,5,7-trimethyloctanoic acid

C11H23NO2 — CID 11435610

IUPAC3-amino-4,5,7-trimethyloctanoic acid
SMILESCC(C)CC(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-7(2)5-8(3)9(4)10(12)6-11(13)14/h7-10H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyYPRXHIXUSYVEMI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds6

About 3-amino-4,5,7-trimethyloctanoic acid

3-amino-4,5,7-trimethyloctanoic acid (PubChem CID 11435610) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-amino-4,5,7-trimethyloctanoic acid.

Molecular Properties

Compound Name3-amino-4,5,7-trimethyloctanoic acid
PubChem CID11435610
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-amino-4,5,7-trimethyloctanoic acid
SMILESCC(C)CC(C)C(C)C(N)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-7(2)5-8(3)9(4)10(12)6-11(13)14/h7-10H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyYPRXHIXUSYVEMI-UHFFFAOYSA-N
XLogP2.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis((3R,4R,5R)-3-amino-4,5-dimethyloctanoic acid);hydrochloride
CID 143112530
3-amino-4,5,6-trimethylheptanoic acid
CID 11367460
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605
3-amino-4-sulfanylpentanoic acid
CID 57282100
(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
azane;3,4-diaminopentanoic acid
CID 173404371
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
hydrazine;3-methylbutanoic acid
CID 175217584
3-amino-6-ethyl-4-methylnonanoic acid
CID 11390279
3-methylbutanoic acid
CID 20849036

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,7-trimethyloctanoic acid?
The IUPAC name of 3-amino-4,5,7-trimethyloctanoic acid (CID 11435610) is 3-amino-4,5,7-trimethyloctanoic acid.
What is the SMILES notation for 3-amino-4,5,7-trimethyloctanoic acid?
The canonical SMILES for 3-amino-4,5,7-trimethyloctanoic acid is CC(C)CC(C)C(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4,5,7-trimethyloctanoic acid?
The InChIKey is YPRXHIXUSYVEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7(2)5-8(3)9(4)10(12)6-11(13)14/h7-10H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-4,5,7-trimethyloctanoic acid?
3-amino-4,5,7-trimethyloctanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,7-trimethyloctanoic acid is sourced from PubChem (CID 11435610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).