(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid

C10H19N3O7 — CID 22791125

IUPAC(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H9NO4/c2*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m00/s1
InChIKeyJFOWDKWFHZIMTR-RUCXOUQFSA-N
MW293.28 g/mol
LogP-2.07
Rot. Bonds8

About (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid

(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid (PubChem CID 22791125) has the molecular formula C10H19N3O7 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
PubChem CID22791125
Molecular FormulaC10H19N3O7
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O3.C5H9NO4/c2*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m00/s1
InChIKeyJFOWDKWFHZIMTR-RUCXOUQFSA-N
XLogP-2.07
TPSA207.03 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.28
LogP ≤ 5-2.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;2-amino-3-sulfanylpropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 174295124
3-aminopropanoic acid;2,5-diamino-5-oxopentanoic acid
CID 166652830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The IUPAC name of (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid (CID 22791125) is (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid is NC(=O)CC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
The InChIKey is JFOWDKWFHZIMTR-RUCXOUQFSA-N. The full InChI is InChI=1S/C5H10N2O3.C5H9NO4/c2*6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t2*3-/m00/s1.
What are the key properties of (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid?
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid has a molecular weight of 293.28 g/mol, XLogP of -2.07, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 22791125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).