2-amino-2,3,3-trideuterio-4-methylpentanoate

C6H12NO2- — CID 101079856

IUPAC2-amino-2,3,3-trideuterio-4-methylpentanoate
SMILES[2H]C(N)(C(=O)[O-])C([2H])([2H])C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/i3D2,5D
InChIKeyROHFNLRQFUQHCH-MSYDVTBWSA-M
MW133.19 g/mol
LogP-0.89
Rot. Bonds3

About 2-amino-2,3,3-trideuterio-4-methylpentanoate

2-amino-2,3,3-trideuterio-4-methylpentanoate (PubChem CID 101079856) has the molecular formula C6H12NO2- and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-amino-2,3,3-trideuterio-4-methylpentanoate.

Molecular Properties

Compound Name2-amino-2,3,3-trideuterio-4-methylpentanoate
PubChem CID101079856
Molecular FormulaC6H12NO2-
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-amino-2,3,3-trideuterio-4-methylpentanoate
SMILES[2H]C(N)(C(=O)[O-])C([2H])([2H])C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/i3D2,5D
InChIKeyROHFNLRQFUQHCH-MSYDVTBWSA-M
XLogP-0.89
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopropanoate
CID 5460980
2-amino-4-methylpentanoate
CID 157437742
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
potassium 2-aminopropanoate
CID 21339510
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
methyl (2R,3S)-2-amino-2,3-dideuterio-4-methylpentanoate;hydrochloride
CID 135890686
calcium;bis((2S)-2-aminopropanoate);pentahydrate
CID 176654568
2-aminopropanoate;hydron;hydrochloride
CID 173141944
(2S,3S)-2-amino-2,3,4-trideuterio-4-methyl(113C)pentanoic acid
CID 25241075
(3S)-3-amino-3,4,4-trideuteriopentan-2-one
CID 58415750
2-aminopropanoate;carbon dioxide
CID 160850245
2-amino-3-methylbutanoate
CID 5460778

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3-trideuterio-4-methylpentanoate?
The IUPAC name of 2-amino-2,3,3-trideuterio-4-methylpentanoate (CID 101079856) is 2-amino-2,3,3-trideuterio-4-methylpentanoate.
What is the SMILES notation for 2-amino-2,3,3-trideuterio-4-methylpentanoate?
The canonical SMILES for 2-amino-2,3,3-trideuterio-4-methylpentanoate is [2H]C(N)(C(=O)[O-])C([2H])([2H])C(C)C.
What is the InChIKey of 2-amino-2,3,3-trideuterio-4-methylpentanoate?
The InChIKey is ROHFNLRQFUQHCH-MSYDVTBWSA-M. 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)/p-1/i3D2,5D.
What are the key properties of 2-amino-2,3,3-trideuterio-4-methylpentanoate?
2-amino-2,3,3-trideuterio-4-methylpentanoate has a molecular weight of 133.19 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3-trideuterio-4-methylpentanoate is sourced from PubChem (CID 101079856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).