2-amino-4,4,5,5,5-pentadeuteriopentanoic acid

C5H11NO2 — CID 171036198

IUPAC2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])CC(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i1D3,2D2
InChIKeySNDPXSYFESPGGJ-ZBJDZAJPSA-N
MW122.18 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid

2-amino-4,4,5,5,5-pentadeuteriopentanoic acid (PubChem CID 171036198) has the molecular formula C5H11NO2 and a molecular weight of 122.18 g/mol. Its IUPAC name is 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid.

Molecular Properties

Compound Name2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
PubChem CID171036198
Molecular FormulaC5H11NO2
Molecular Weight122.18 g/mol
Exact Mass122.11
IUPAC Name2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])CC(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i1D3,2D2
InChIKeySNDPXSYFESPGGJ-ZBJDZAJPSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
CID 165359351
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid?
The IUPAC name of 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid (CID 171036198) is 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid.
What is the SMILES notation for 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid?
The canonical SMILES for 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid is [2H]C([2H])([2H])C([2H])([2H])CC(N)C(=O)O.
What is the InChIKey of 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid?
The InChIKey is SNDPXSYFESPGGJ-ZBJDZAJPSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/i1D3,2D2.
What are the key properties of 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid?
2-amino-4,4,5,5,5-pentadeuteriopentanoic acid has a molecular weight of 122.18 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4,5,5,5-pentadeuteriopentanoic acid is sourced from PubChem (CID 171036198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).