2-azaniumyl-5-hydroxy-5-oxopentanoate

C5H9NO4 — CID 57397101

IUPAC2-azaniumyl-5-hydroxy-5-oxopentanoate
SMILES[NH3+]C(CCC(=O)O)C(=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)
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-N
MW147.13 g/mol
LogP-2.79
Rot. Bonds4

About 2-azaniumyl-5-hydroxy-5-oxopentanoate

2-azaniumyl-5-hydroxy-5-oxopentanoate (PubChem CID 57397101) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-azaniumyl-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Name2-azaniumyl-5-hydroxy-5-oxopentanoate
PubChem CID57397101
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-azaniumyl-5-hydroxy-5-oxopentanoate
SMILES[NH3+]C(CCC(=O)O)C(=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)
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-N
XLogP-2.79
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1,3-dicarboxypropyl]azanium
CID 5147171
(2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
CID 6998933
2-azaniumylpentanedioate;2-oxopentanedioate
CID 158602058
(2S)-2-azaniumyl-4-fluorobutanoate
CID 10486843
(2R)-2-azaniumyl-4-sulfanylbutanoate
CID 6971069
2-azaniumylpentanedioate;2,6-bis(azaniumyl)hexanoate
CID 158540866
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
2,6-bis(azaniumyl)hexanoate
CID 5242389
(2S)-2-azaniumyl-5-[[2-(carboxylatomethylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 6992508
(2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate
CID 25243997
(2S,5R)-2,6-bis(azaniumyl)-5-hydroxyhexanoate chloride
CID 139063890
2-azaniumyl-4-methylsulfanylbutanoate
CID 5255805

Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-5-hydroxy-5-oxopentanoate?
The IUPAC name of 2-azaniumyl-5-hydroxy-5-oxopentanoate (CID 57397101) is 2-azaniumyl-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for 2-azaniumyl-5-hydroxy-5-oxopentanoate?
The canonical SMILES for 2-azaniumyl-5-hydroxy-5-oxopentanoate is [NH3+]C(CCC(=O)O)C(=O)[O-].
What is the InChIKey of 2-azaniumyl-5-hydroxy-5-oxopentanoate?
The InChIKey is WHUUTDBJXJRKMK-UHFFFAOYSA-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).
What are the key properties of 2-azaniumyl-5-hydroxy-5-oxopentanoate?
2-azaniumyl-5-hydroxy-5-oxopentanoate has a molecular weight of 147.13 g/mol, XLogP of -2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 57397101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).