3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

C11H13N3O4 — CID 107323231

IUPAC3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H13N3O4/c12-11(10(17)18)3-4-14(6-11)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6,12H2,(H,13,15)(H,17,18)
InChIKeyMTCFZJKQSFAYRB-UHFFFAOYSA-N
MW251.24 g/mol
LogP-1.00
Rot. Bonds2

About 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323231) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323231
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H13N3O4/c12-11(10(17)18)3-4-14(6-11)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6,12H2,(H,13,15)(H,17,18)
InChIKeyMTCFZJKQSFAYRB-UHFFFAOYSA-N
XLogP-1.00
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323231) is 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MTCFZJKQSFAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-11(10(17)18)3-4-14(6-11)9(16)7-1-2-8(15)13-5-7/h1-2,5H,3-4,6,12H2,(H,13,15)(H,17,18).
What are the key properties of 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).