(2S)-2-amino-3,4-dihydroxypentanedioic acid

C5H9NO6 — CID 22790188

IUPAC(2S)-2-amino-3,4-dihydroxypentanedioic acid
SMILESN[C@H](C(=O)O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)/t1-,2?,3?/m0/s1
InChIKeySODSBJHVKSGOIZ-NUWTVHIESA-N
MW179.13 g/mol
LogP-2.80
Rot. Bonds4

About (2S)-2-amino-3,4-dihydroxypentanedioic acid

(2S)-2-amino-3,4-dihydroxypentanedioic acid (PubChem CID 22790188) has the molecular formula C5H9NO6 and a molecular weight of 179.13 g/mol. Its IUPAC name is (2S)-2-amino-3,4-dihydroxypentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,4-dihydroxypentanedioic acid
PubChem CID22790188
Molecular FormulaC5H9NO6
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name(2S)-2-amino-3,4-dihydroxypentanedioic acid
SMILESN[C@H](C(=O)O)C(O)C(O)C(=O)O
InChIInChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)/t1-,2?,3?/m0/s1
InChIKeySODSBJHVKSGOIZ-NUWTVHIESA-N
XLogP-2.80
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-2.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,4-dihydroxypentanedioic acid?
The IUPAC name of (2S)-2-amino-3,4-dihydroxypentanedioic acid (CID 22790188) is (2S)-2-amino-3,4-dihydroxypentanedioic acid.
What is the SMILES notation for (2S)-2-amino-3,4-dihydroxypentanedioic acid?
The canonical SMILES for (2S)-2-amino-3,4-dihydroxypentanedioic acid is N[C@H](C(=O)O)C(O)C(O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3,4-dihydroxypentanedioic acid?
The InChIKey is SODSBJHVKSGOIZ-NUWTVHIESA-N. The full InChI is InChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)/t1-,2?,3?/m0/s1.
What are the key properties of (2S)-2-amino-3,4-dihydroxypentanedioic acid?
(2S)-2-amino-3,4-dihydroxypentanedioic acid has a molecular weight of 179.13 g/mol, XLogP of -2.80, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,4-dihydroxypentanedioic acid is sourced from PubChem (CID 22790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).