2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid

C19H16N2O5S — CID 70043490

IUPAC2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid
SMILESO=C(NC1=CC=C(c2cccs2)N(C(=O)C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C19H16N2O5S/c22-17(18(23)24)21-11-14(8-9-15(21)16-7-4-10-27-16)20-19(25)26-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,25)(H,23,24)
InChIKeyUVNQLEAHTGMYAL-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.83
Rot. Bonds4

About 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid

2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid (PubChem CID 70043490) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid
PubChem CID70043490
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid
SMILESO=C(NC1=CC=C(c2cccs2)N(C(=O)C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C19H16N2O5S/c22-17(18(23)24)21-11-14(8-9-15(21)16-7-4-10-27-16)20-19(25)26-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,25)(H,23,24)
InChIKeyUVNQLEAHTGMYAL-UHFFFAOYSA-N
XLogP2.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[5-iodo-3-(phenylmethoxycarbonylamino)-2H-pyridin-1-yl]-2-oxoacetic acid
CID 70043439
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
dibenzyl 2-(thiophen-2-ylmethylidene)propanedioate
CID 12987266
benzyl N-(4H-pyran-3-yl)carbamate
CID 141089932
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid?
The IUPAC name of 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid (CID 70043490) is 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid is O=C(NC1=CC=C(c2cccs2)N(C(=O)C(=O)O)C1)OCc1ccccc1.
What is the InChIKey of 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid?
The InChIKey is UVNQLEAHTGMYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-17(18(23)24)21-11-14(8-9-15(21)16-7-4-10-27-16)20-19(25)26-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,20,25)(H,23,24).
What are the key properties of 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid?
2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid has a molecular weight of 384.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[3-(phenylmethoxycarbonylamino)-6-thiophen-2-yl-2H-pyridin-1-yl]acetic acid is sourced from PubChem (CID 70043490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).