2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid

C5H10N2O3 — CID 59274060

IUPAC2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid
SMILES[2H]C([2H])(C(N)=O)C([2H])([2H])C([2H])(N)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/i1D2,2D2,3D
InChIKeyZDXPYRJPNDTMRX-UXXIZXEISA-N
MW151.18 g/mol
LogP-1.34
Rot. Bonds4

About 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid

2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid (PubChem CID 59274060) has the molecular formula C5H10N2O3 and a molecular weight of 151.18 g/mol. Its IUPAC name is 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid.

Molecular Properties

Compound Name2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid
PubChem CID59274060
Molecular FormulaC5H10N2O3
Molecular Weight151.18 g/mol
Exact Mass151.10
IUPAC Name2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid
SMILES[2H]C([2H])(C(N)=O)C([2H])([2H])C([2H])(N)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/i1D2,2D2,3D
InChIKeyZDXPYRJPNDTMRX-UXXIZXEISA-N
XLogP-1.34
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid;dodeca-2,4,6,8,10-pentayne
CID 91238594
2-amino-2,3,3,4,4-pentadeuterio(2,5-13C2)pentanedioic acid
CID 51037439
(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid
CID 162343667
(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid
CID 166070226
(2S,3S)-2-amino-2,3-dideuteriobutanedioic acid
CID 25241352
(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid
CID 176760307
(2S)-2-amino-6-[[(4S)-4-amino-4-carboxy-2,2,3,3,4-pentadeuteriobutanoyl]amino]hexanoic acid
CID 169441011
(2S,3S)-2-amino-2,3,4-trideuterio-4-methyl(113C)pentanoic acid
CID 25241075
(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
CID 135899988
2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
CID 134866153
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
CID 171381617

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid?
The IUPAC name of 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid (CID 59274060) is 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid.
What is the SMILES notation for 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid?
The canonical SMILES for 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid is [2H]C([2H])(C(N)=O)C([2H])([2H])C([2H])(N)C(=O)O.
What is the InChIKey of 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid?
The InChIKey is ZDXPYRJPNDTMRX-UXXIZXEISA-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)/i1D2,2D2,3D.
What are the key properties of 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid?
2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid has a molecular weight of 151.18 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid is sourced from PubChem (CID 59274060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).