2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

C14H14N2O5S — CID 58556932

IUPAC2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOC(=O)c1sccc1NC(C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C14H14N2O5S/c1-20-10-4-3-8(7-15-10)11(13(17)18)16-9-5-6-22-12(9)14(19)21-2/h3-7,11,16H,1-2H3,(H,17,18)
InChIKeyOPDRMFPUDRKEDT-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 58556932) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID58556932
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOC(=O)c1sccc1NC(C(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C14H14N2O5S/c1-20-10-4-3-8(7-15-10)11(13(17)18)16-9-5-6-22-12(9)14(19)21-2/h3-7,11,16H,1-2H3,(H,17,18)
InChIKeyOPDRMFPUDRKEDT-UHFFFAOYSA-N
XLogP2.18
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 58556932) is 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is COC(=O)c1sccc1NC(C(=O)O)c1ccc(OC)nc1.
What is the InChIKey of 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is OPDRMFPUDRKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-10-4-3-8(7-15-10)11(13(17)18)16-9-5-6-22-12(9)14(19)21-2/h3-7,11,16H,1-2H3,(H,17,18).
What are the key properties of 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 322.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 58556932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).