1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H24N4O6 — CID 20714272

IUPAC1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1C[C@H](n2cc(C(=O)O)c(=O)c3cccnc32)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H24N4O6/c1-26(2)22(30)19-11-16(12-28(19)24(33)34-14-15-7-4-3-5-8-15)27-13-18(23(31)32)20(29)17-9-6-10-25-21(17)27/h3-10,13,16,19H,11-12,14H2,1-2H3,(H,31,32)/t16-,19-/m0/s1
InChIKeyMJVXXOZAEYBTCY-LPHOPBHVSA-N
MW464.48 g/mol
LogP2.14
Rot. Bonds5

About 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 20714272) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID20714272
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1C[C@H](n2cc(C(=O)O)c(=O)c3cccnc32)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H24N4O6/c1-26(2)22(30)19-11-16(12-28(19)24(33)34-14-15-7-4-3-5-8-15)27-13-18(23(31)32)20(29)17-9-6-10-25-21(17)27/h3-10,13,16,19H,11-12,14H2,1-2H3,(H,31,32)/t16-,19-/m0/s1
InChIKeyMJVXXOZAEYBTCY-LPHOPBHVSA-N
XLogP2.14
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-oxo-1-[(3S)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-1,8-naphthyridine-3-carboxylate
CID 139840840
1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 18331271
benzyl 4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]piperidine-1-carboxylate
CID 15908301
(2S,4S)-1-phenylmethoxycarbonyl-4-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 70469193
benzyl N-[4-[3-[(3,5-dichloro-4-pyridinyl)carbamoyl]-4-oxo-1,8-naphthyridin-1-yl]cyclohexyl]carbamate
CID 70239927
(2S)-4-(1,3-dioxoisoindol-2-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70468975
benzyl 5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 19773719
benzyl 2-[ethoxycarbonyl(phenyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate
CID 90697566
benzyl (2S)-2-[dimethylamino(hydroxy)methyl]azetidine-1-carboxylate
CID 143448377
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
(4-nitrophenyl)methyl (2R,4S)-4-bromo-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 163211698
(4-nitrophenyl)methyl (4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 24744264

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 20714272) is 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CN(C)C(=O)[C@@H]1C[C@H](n2cc(C(=O)O)c(=O)c3cccnc32)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MJVXXOZAEYBTCY-LPHOPBHVSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-26(2)22(30)19-11-16(12-28(19)24(33)34-14-15-7-4-3-5-8-15)27-13-18(23(31)32)20(29)17-9-6-10-25-21(17)27/h3-10,13,16,19H,11-12,14H2,1-2H3,(H,31,32)/t16-,19-/m0/s1.
What are the key properties of 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 464.48 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-5-(dimethylcarbamoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20714272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).