2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate

C7H10N2O5 — CID 5231917

IUPAC2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate
SMILES[NH3+]C(C(=O)[O-])C1CC(C(=O)O)NC1=O
InChIInChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQEFCFJFZZLNSPP-UHFFFAOYSA-N
MW202.17 g/mol
LogP-4.06
Rot. Bonds3

About 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate

2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate (PubChem CID 5231917) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate.

Molecular Properties

Compound Name2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate
PubChem CID5231917
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate
SMILES[NH3+]C(C(=O)[O-])C1CC(C(=O)O)NC1=O
InChIInChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyQEFCFJFZZLNSPP-UHFFFAOYSA-N
XLogP-4.06
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate?
The IUPAC name of 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate (CID 5231917) is 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate.
What is the SMILES notation for 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate?
The canonical SMILES for 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate is [NH3+]C(C(=O)[O-])C1CC(C(=O)O)NC1=O.
What is the InChIKey of 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate?
The InChIKey is QEFCFJFZZLNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate?
2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate has a molecular weight of 202.17 g/mol, XLogP of -4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-2-(5-carboxy-2-oxopyrrolidin-3-yl)acetate is sourced from PubChem (CID 5231917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).