(2S)-2-amino-4,4-dideuteriopentanoic acid

C5H11NO2 — CID 158119315

IUPAC(2S)-2-amino-4,4-dideuteriopentanoic acid
SMILES[2H]C([2H])(C)C[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D2
InChIKeySNDPXSYFESPGGJ-FMMSUUDPSA-N
MW119.16 g/mol
LogP0.20
Rot. Bonds3

About (2S)-2-amino-4,4-dideuteriopentanoic acid

(2S)-2-amino-4,4-dideuteriopentanoic acid (PubChem CID 158119315) has the molecular formula C5H11NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S)-2-amino-4,4-dideuteriopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4,4-dideuteriopentanoic acid
PubChem CID158119315
Molecular FormulaC5H11NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S)-2-amino-4,4-dideuteriopentanoic acid
SMILES[2H]C([2H])(C)C[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D2
InChIKeySNDPXSYFESPGGJ-FMMSUUDPSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
CID 171036198
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
CID 165359351
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(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
2,4,4-trideuterio-2-(2,2-dideuteriopropyl)pentanoic acid
CID 46832539
2-aminotetracosanoic acid
CID 88730229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-dideuteriopentanoic acid?
The IUPAC name of (2S)-2-amino-4,4-dideuteriopentanoic acid (CID 158119315) is (2S)-2-amino-4,4-dideuteriopentanoic acid.
What is the SMILES notation for (2S)-2-amino-4,4-dideuteriopentanoic acid?
The canonical SMILES for (2S)-2-amino-4,4-dideuteriopentanoic acid is [2H]C([2H])(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4,4-dideuteriopentanoic acid?
The InChIKey is SNDPXSYFESPGGJ-FMMSUUDPSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i2D2.
What are the key properties of (2S)-2-amino-4,4-dideuteriopentanoic acid?
(2S)-2-amino-4,4-dideuteriopentanoic acid has a molecular weight of 119.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4-dideuteriopentanoic acid is sourced from PubChem (CID 158119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).