2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate

C9H15N2O5- — CID 78437958

IUPAC2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate
SMILESCCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1
InChIKeyFUZOZPRKGAXGOB-UHFFFAOYSA-M
MW231.23 g/mol
LogP-4.23
Rot. Bonds7

About 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate

2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate (PubChem CID 78437958) has the molecular formula C9H15N2O5- and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate.

Molecular Properties

Compound Name2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate
PubChem CID78437958
Molecular FormulaC9H15N2O5-
Molecular Weight231.23 g/mol
Exact Mass231.10
IUPAC Name2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate
SMILESCCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1
InChIKeyFUZOZPRKGAXGOB-UHFFFAOYSA-M
XLogP-4.23
TPSA137.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-4.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate?
The IUPAC name of 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate (CID 78437958) is 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate.
What is the SMILES notation for 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate?
The canonical SMILES for 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate is CCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate?
The InChIKey is FUZOZPRKGAXGOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1.
What are the key properties of 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate?
2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate has a molecular weight of 231.23 g/mol, XLogP of -4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-5-(1-carboxylatopropylamino)-5-oxopentanoate is sourced from PubChem (CID 78437958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).