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

C5H14N2O5 — CID 174966770

IUPAC2,5-diamino-5-oxopentanoic acid;dihydrate
SMILESNC(=O)CCC(N)C(=O)O.O.O
InChIInChI=1S/C5H10N2O3.2H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H2
InChIKeyWRSDTKFXNBTWKY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-2.99
Rot. Bonds4

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

2,5-diamino-5-oxopentanoic acid;dihydrate (PubChem CID 174966770) has the molecular formula C5H14N2O5 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,5-diamino-5-oxopentanoic acid;dihydrate.

Molecular Properties

Compound Name2,5-diamino-5-oxopentanoic acid;dihydrate
PubChem CID174966770
Molecular FormulaC5H14N2O5
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2,5-diamino-5-oxopentanoic acid;dihydrate
SMILESNC(=O)CCC(N)C(=O)O.O.O
InChIInChI=1S/C5H10N2O3.2H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H2
InChIKeyWRSDTKFXNBTWKY-UHFFFAOYSA-N
XLogP-2.99
TPSA169.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
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
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-5-oxopentanoic acid;dihydrate?
The IUPAC name of 2,5-diamino-5-oxopentanoic acid;dihydrate (CID 174966770) is 2,5-diamino-5-oxopentanoic acid;dihydrate.
What is the SMILES notation for 2,5-diamino-5-oxopentanoic acid;dihydrate?
The canonical SMILES for 2,5-diamino-5-oxopentanoic acid;dihydrate is NC(=O)CCC(N)C(=O)O.O.O.
What is the InChIKey of 2,5-diamino-5-oxopentanoic acid;dihydrate?
The InChIKey is WRSDTKFXNBTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.2H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H2,7,8)(H,9,10);2*1H2.
What are the key properties of 2,5-diamino-5-oxopentanoic acid;dihydrate?
2,5-diamino-5-oxopentanoic acid;dihydrate has a molecular weight of 182.18 g/mol, XLogP of -2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-5-oxopentanoic acid;dihydrate is sourced from PubChem (CID 174966770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).