2-amino-4-methyl-4,5-ditritiopentanoic acid

C6H13NO2 — CID 13000951

IUPAC2-amino-4-methyl-4,5-ditritiopentanoic acid
SMILES[3H]CC([3H])(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1T,4T
InChIKeyROHFNLRQFUQHCH-HNOVJDQZSA-N
MW135.19 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-4-methyl-4,5-ditritiopentanoic acid

2-amino-4-methyl-4,5-ditritiopentanoic acid (PubChem CID 13000951) has the molecular formula C6H13NO2 and a molecular weight of 135.19 g/mol. Its IUPAC name is 2-amino-4-methyl-4,5-ditritiopentanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-4,5-ditritiopentanoic acid
PubChem CID13000951
Molecular FormulaC6H13NO2
Molecular Weight135.19 g/mol
Exact Mass135.11
IUPAC Name2-amino-4-methyl-4,5-ditritiopentanoic acid
SMILES[3H]CC([3H])(C)CC(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1T,4T
InChIKeyROHFNLRQFUQHCH-HNOVJDQZSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
2-amino-4-hydroxypentanoic acid;ethane
CID 143364485
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4,5-ditritiopentanoic acid?
The IUPAC name of 2-amino-4-methyl-4,5-ditritiopentanoic acid (CID 13000951) is 2-amino-4-methyl-4,5-ditritiopentanoic acid.
What is the SMILES notation for 2-amino-4-methyl-4,5-ditritiopentanoic acid?
The canonical SMILES for 2-amino-4-methyl-4,5-ditritiopentanoic acid is [3H]CC([3H])(C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-methyl-4,5-ditritiopentanoic acid?
The InChIKey is ROHFNLRQFUQHCH-HNOVJDQZSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1T,4T.
What are the key properties of 2-amino-4-methyl-4,5-ditritiopentanoic acid?
2-amino-4-methyl-4,5-ditritiopentanoic acid has a molecular weight of 135.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4,5-ditritiopentanoic acid is sourced from PubChem (CID 13000951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).