2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

C14H14N2O4S — CID 115284414

IUPAC2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCCOC(=O)c1cccnc1NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O4S/c1-2-20-14(19)9-5-3-7-15-12(9)16-11(13(17)18)10-6-4-8-21-10/h3-8,11H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyNQOBFIUNZJICAV-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.56
Rot. Bonds6

About 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284414) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284414
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCCOC(=O)c1cccnc1NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H14N2O4S/c1-2-20-14(19)9-5-3-7-15-12(9)16-11(13(17)18)10-6-4-8-21-10/h3-8,11H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyNQOBFIUNZJICAV-UHFFFAOYSA-N
XLogP2.56
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61480191
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (CID 115284414) is 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is CCOC(=O)c1cccnc1NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is NQOBFIUNZJICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-20-14(19)9-5-3-7-15-12(9)16-11(13(17)18)10-6-4-8-21-10/h3-8,11H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).