5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H16N4O4 — CID 114407627

IUPAC5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOC(=O)NC1CCN(c2nc(C(=O)O)ccc2N)C1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)14-7-4-5-16(6-7)10-8(13)2-3-9(15-10)11(17)18/h2-3,7H,4-6,13H2,1H3,(H,14,19)(H,17,18)
InChIKeyCQOIQEAEJDGLPR-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.30
Rot. Bonds3

About 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid

5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 114407627) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID114407627
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCOC(=O)NC1CCN(c2nc(C(=O)O)ccc2N)C1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)14-7-4-5-16(6-7)10-8(13)2-3-9(15-10)11(17)18/h2-3,7H,4-6,13H2,1H3,(H,14,19)(H,17,18)
InChIKeyCQOIQEAEJDGLPR-UHFFFAOYSA-N
XLogP0.30
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 114407627) is 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid is COC(=O)NC1CCN(c2nc(C(=O)O)ccc2N)C1.
What is the InChIKey of 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CQOIQEAEJDGLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-12(19)14-7-4-5-16(6-7)10-8(13)2-3-9(15-10)11(17)18/h2-3,7H,4-6,13H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(methoxycarbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).