[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate

C21H23N3O5 — CID 95784052

IUPAC[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1
InChIInChI=1S/C21H23N3O5/c1-14(19(25)23-15-8-10-16(28-2)11-9-15)29-21(27)18-7-5-13-24(18)20(26)17-6-3-4-12-22-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyLVBNMQOMNZBWLV-KDOFPFPSSA-N
MW397.43 g/mol
LogP2.27
Rot. Bonds6

About [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate

[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 95784052) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID95784052
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1
InChIInChI=1S/C21H23N3O5/c1-14(19(25)23-15-8-10-16(28-2)11-9-15)29-21(27)18-7-5-13-24(18)20(26)17-6-3-4-12-22-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyLVBNMQOMNZBWLV-KDOFPFPSSA-N
XLogP2.27
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 42922292
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
(2R)-N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-2-carbonyl)piperidine-2-carboxamide
CID 26323406
2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 71988037
(2S)-1-benzoyl-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 162739482
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 167807676
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[1-(pyridine-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980722
trans-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 26769254
N-(4-methoxyphenyl)-2-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]propanamide
CID 167857379
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate (CID 95784052) is [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate is COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is LVBNMQOMNZBWLV-KDOFPFPSSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-14(19(25)23-15-8-10-16(28-2)11-9-15)29-21(27)18-7-5-13-24(18)20(26)17-6-3-4-12-22-17/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,23,25)/t14-,18+/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate?
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 95784052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).