2,5-diamino-5-oxopentanoic acid;oxalic acid

C7H12N2O7 — CID 22114581

IUPAC2,5-diamino-5-oxopentanoic acid;oxalic acid
SMILESNC(=O)CCC(N)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C5H10N2O3.C2H2O4/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);(H,3,4)(H,5,6)
InChIKeyMOLVDKPCXNFUTJ-UHFFFAOYSA-N
MW236.18 g/mol
LogP-2.18
Rot. Bonds4

About 2,5-diamino-5-oxopentanoic acid;oxalic acid

2,5-diamino-5-oxopentanoic acid;oxalic acid (PubChem CID 22114581) has the molecular formula C7H12N2O7 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2,5-diamino-5-oxopentanoic acid;oxalic acid.

Molecular Properties

Compound Name2,5-diamino-5-oxopentanoic acid;oxalic acid
PubChem CID22114581
Molecular FormulaC7H12N2O7
Molecular Weight236.18 g/mol
Exact Mass236.06
IUPAC Name2,5-diamino-5-oxopentanoic acid;oxalic acid
SMILESNC(=O)CCC(N)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C5H10N2O3.C2H2O4/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);(H,3,4)(H,5,6)
InChIKeyMOLVDKPCXNFUTJ-UHFFFAOYSA-N
XLogP-2.18
TPSA181.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxo(513C)pentanoic acid;2-oxo(113C)propanoic acid
CID 157421085
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxopentanoic acid;oxalic acid?
The IUPAC name of 2,5-diamino-5-oxopentanoic acid;oxalic acid (CID 22114581) is 2,5-diamino-5-oxopentanoic acid;oxalic acid.
What is the SMILES notation for 2,5-diamino-5-oxopentanoic acid;oxalic acid?
The canonical SMILES for 2,5-diamino-5-oxopentanoic acid;oxalic acid is NC(=O)CCC(N)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2,5-diamino-5-oxopentanoic acid;oxalic acid?
The InChIKey is MOLVDKPCXNFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.C2H2O4/c6-3(5(9)10)1-2-4(7)8;3-1(4)2(5)6/h3H,1-2,6H2,(H2,7,8)(H,9,10);(H,3,4)(H,5,6).
What are the key properties of 2,5-diamino-5-oxopentanoic acid;oxalic acid?
2,5-diamino-5-oxopentanoic acid;oxalic acid has a molecular weight of 236.18 g/mol, XLogP of -2.18, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxopentanoic acid;oxalic acid is sourced from PubChem (CID 22114581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).