2-amino-4,4,6,6,8-pentamethylnonanoic acid

C14H29NO2 — CID 145315535

IUPAC2-amino-4,4,6,6,8-pentamethylnonanoic acid
SMILESCC(C)CC(C)(C)CC(C)(C)CC(N)C(=O)O
InChIInChI=1S/C14H29NO2/c1-10(2)7-13(3,4)9-14(5,6)8-11(15)12(16)17/h10-11H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyAIWRIGTVGOPENW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.28
Rot. Bonds7

About 2-amino-4,4,6,6,8-pentamethylnonanoic acid

2-amino-4,4,6,6,8-pentamethylnonanoic acid (PubChem CID 145315535) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-amino-4,4,6,6,8-pentamethylnonanoic acid.

Molecular Properties

Compound Name2-amino-4,4,6,6,8-pentamethylnonanoic acid
PubChem CID145315535
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-amino-4,4,6,6,8-pentamethylnonanoic acid
SMILESCC(C)CC(C)(C)CC(C)(C)CC(N)C(=O)O
InChIInChI=1S/C14H29NO2/c1-10(2)7-13(3,4)9-14(5,6)8-11(15)12(16)17/h10-11H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyAIWRIGTVGOPENW-UHFFFAOYSA-N
XLogP3.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4,6,6,8-pentamethylnonanoic acid?
The IUPAC name of 2-amino-4,4,6,6,8-pentamethylnonanoic acid (CID 145315535) is 2-amino-4,4,6,6,8-pentamethylnonanoic acid.
What is the SMILES notation for 2-amino-4,4,6,6,8-pentamethylnonanoic acid?
The canonical SMILES for 2-amino-4,4,6,6,8-pentamethylnonanoic acid is CC(C)CC(C)(C)CC(C)(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4,4,6,6,8-pentamethylnonanoic acid?
The InChIKey is AIWRIGTVGOPENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)7-13(3,4)9-14(5,6)8-11(15)12(16)17/h10-11H,7-9,15H2,1-6H3,(H,16,17).
What are the key properties of 2-amino-4,4,6,6,8-pentamethylnonanoic acid?
2-amino-4,4,6,6,8-pentamethylnonanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4,6,6,8-pentamethylnonanoic acid is sourced from PubChem (CID 145315535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).