(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid

C5H12N2O2 — CID 162343667

IUPAC(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])[C@]([2H])(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1/i1D2,2D2,3D2,4D
InChIKeyAHLPHDHHMVZTML-BFEYZEMLSA-N
MW139.21 g/mol
LogP-0.86
Rot. Bonds4

About (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid

(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid (PubChem CID 162343667) has the molecular formula C5H12N2O2 and a molecular weight of 139.21 g/mol. Its IUPAC name is (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid
PubChem CID162343667
Molecular FormulaC5H12N2O2
Molecular Weight139.21 g/mol
Exact Mass139.13
IUPAC Name(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid
SMILES[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])[C@]([2H])(N)C(=O)O
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1/i1D2,2D2,3D2,4D
InChIKeyAHLPHDHHMVZTML-BFEYZEMLSA-N
XLogP-0.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2,3,3,4,4-pentadeuterio(2,5-13C2)pentanedioic acid
CID 51037439
2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid
CID 59274060
(2S,3S)-2-amino-2,3-dideuteriobutanedioic acid
CID 25241352
(2S,3S)-2-amino-2,3,4-trideuterio-4-methyl(113C)pentanoic acid
CID 25241075
2,5-diamino-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid;dodeca-2,4,6,8,10-pentayne
CID 91238594
(2S)-2-amino-2-deuterio-3-formyloxypropanoic acid
CID 176760307
(2S)-5-amino-2,3,3,4-tetradeuterio-2-(dideuterioamino)-5-oxopentanoic acid
CID 166070226
2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
CID 134866153
(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
CID 135899988
6-amino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid
CID 46245160
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
3-amino-2,3,3-trideuterio-2-methylpropanoic acid
CID 131869355

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid?
The IUPAC name of (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid (CID 162343667) is (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid is [2H]C([2H])(N)C([2H])([2H])C([2H])([2H])[C@]([2H])(N)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid?
The InChIKey is AHLPHDHHMVZTML-BFEYZEMLSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1/i1D2,2D2,3D2,4D.
What are the key properties of (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid?
(2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid has a molecular weight of 139.21 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-2,3,3,4,4,5,5-heptadeuteriopentanoic acid is sourced from PubChem (CID 162343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).