(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid

C5H10N2O3 — CID 166070226

IUPAC(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid
SMILES[2H]C(C(N)=O)C([2H])([2H])[C@@]([2H])(C(=O)O)N([2H])[2H]
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D,3D/hD2/t2?,3-
InChIKeyZDXPYRJPNDTMRX-LCCIEIEDSA-N
MW152.18 g/mol
LogP-1.34
Rot. Bonds5

About (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid

(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid (PubChem CID 166070226) has the molecular formula C5H10N2O3 and a molecular weight of 152.18 g/mol. Its IUPAC name is (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid
PubChem CID166070226
Molecular FormulaC5H10N2O3
Molecular Weight152.18 g/mol
Exact Mass152.11
IUPAC Name(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid
SMILES[2H]C(C(N)=O)C([2H])([2H])[C@@]([2H])(C(=O)O)N([2H])[2H]
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D,3D/hD2/t2?,3-
InChIKeyZDXPYRJPNDTMRX-LCCIEIEDSA-N
XLogP-1.34
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid (CID 166070226) is (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid is [2H]C(C(N)=O)C([2H])([2H])[C@@]([2H])(C(=O)O)N([2H])[2H].
What is the InChIKey of (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid?
The InChIKey is ZDXPYRJPNDTMRX-LCCIEIEDSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D,3D/hD2/t2?,3-.
What are the key properties of (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid?
(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid has a molecular weight of 152.18 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid is sourced from PubChem (CID 166070226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).