(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid

C4H10N2O2 — CID 138757297

IUPAC(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid
SMILES[2H]N(C)C[C@H](N)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1/i/hD
InChIKeyUJVHVMNGOZXSOZ-FRZDUIPKSA-N
MW119.14 g/mol
LogP-1.38
Rot. Bonds3

About (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid

(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid (PubChem CID 138757297) has the molecular formula C4H10N2O2 and a molecular weight of 119.14 g/mol. Its IUPAC name is (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid
PubChem CID138757297
Molecular FormulaC4H10N2O2
Molecular Weight119.14 g/mol
Exact Mass119.08
IUPAC Name(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid
SMILES[2H]N(C)C[C@H](N)C(=O)O
InChIInChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1/i/hD
InChIKeyUJVHVMNGOZXSOZ-FRZDUIPKSA-N
XLogP-1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid (CID 138757297) is (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid is [2H]N(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid?
The InChIKey is UJVHVMNGOZXSOZ-FRZDUIPKSA-N. The full InChI is InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1/i/hD.
What are the key properties of (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid?
(2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid has a molecular weight of 119.14 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[deuterio(methyl)amino]propanoic acid is sourced from PubChem (CID 138757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).