(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid

C5H9NO4 — CID 121494059

IUPAC(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
SMILESN[13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1
InChIKeyWHUUTDBJXJRKMK-GKVKFTTQSA-N
MW152.09 g/mol
LogP-0.74
Rot. Bonds4

About (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid (PubChem CID 121494059) has the molecular formula C5H9NO4 and a molecular weight of 152.09 g/mol. Its IUPAC name is (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
PubChem CID121494059
Molecular FormulaC5H9NO4
Molecular Weight152.09 g/mol
Exact Mass152.07
IUPAC Name(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
SMILESN[13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1
InChIKeyWHUUTDBJXJRKMK-GKVKFTTQSA-N
XLogP-0.74
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminopentanedioic acid
CID 611
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid?
The IUPAC name of (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid (CID 121494059) is (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid.
What is the SMILES notation for (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid?
The canonical SMILES for (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid is N[13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O.
What is the InChIKey of (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid?
The InChIKey is WHUUTDBJXJRKMK-GKVKFTTQSA-N. The full InChI is InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1/i1+1,2+1,3+1,4+1,5+1.
What are the key properties of (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid?
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid has a molecular weight of 152.09 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid is sourced from PubChem (CID 121494059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).