2-amino-5-ethyl-2,8-dimethylnonanoic acid

C13H27NO2 — CID 152728228

IUPAC2-amino-5-ethyl-2,8-dimethylnonanoic acid
SMILESCCC(CCC(C)C)CCC(C)(N)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-11(7-6-10(2)3)8-9-13(4,14)12(15)16/h10-11H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyZXBBEKCLFDNNMT-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.03
Rot. Bonds8

About 2-amino-5-ethyl-2,8-dimethylnonanoic acid

2-amino-5-ethyl-2,8-dimethylnonanoic acid (PubChem CID 152728228) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-amino-5-ethyl-2,8-dimethylnonanoic acid.

Molecular Properties

Compound Name2-amino-5-ethyl-2,8-dimethylnonanoic acid
PubChem CID152728228
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-amino-5-ethyl-2,8-dimethylnonanoic acid
SMILESCCC(CCC(C)C)CCC(C)(N)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-11(7-6-10(2)3)8-9-13(4,14)12(15)16/h10-11H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyZXBBEKCLFDNNMT-UHFFFAOYSA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid
CID 79489528
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
2-ethyl-3-(3-methylbutyl)butanedioic acid
CID 174966498
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-2,8-dimethylnonanoic acid?
The IUPAC name of 2-amino-5-ethyl-2,8-dimethylnonanoic acid (CID 152728228) is 2-amino-5-ethyl-2,8-dimethylnonanoic acid.
What is the SMILES notation for 2-amino-5-ethyl-2,8-dimethylnonanoic acid?
The canonical SMILES for 2-amino-5-ethyl-2,8-dimethylnonanoic acid is CCC(CCC(C)C)CCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-5-ethyl-2,8-dimethylnonanoic acid?
The InChIKey is ZXBBEKCLFDNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-11(7-6-10(2)3)8-9-13(4,14)12(15)16/h10-11H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-5-ethyl-2,8-dimethylnonanoic acid?
2-amino-5-ethyl-2,8-dimethylnonanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-2,8-dimethylnonanoic acid is sourced from PubChem (CID 152728228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).