5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid

C32H28N4O11 — CID 134307091

IUPAC5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C32H28N4O11/c37-27(21-11-13-25(31(41)42)35(29(21)39)46-15-19-7-3-1-4-8-19)33-23-17-45-18-24(23)34-28(38)22-12-14-26(32(43)44)36(30(22)40)47-16-20-9-5-2-6-10-20/h1-14,23-24H,15-18H2,(H,33,37)(H,34,38)(H,41,42)(H,43,44)/t23-,24+
InChIKeyDRDYIWDCGLACCH-PSWAGMNNSA-N
MW644.59 g/mol
LogP0.59
Rot. Bonds12

About 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid

5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 134307091) has the molecular formula C32H28N4O11 and a molecular weight of 644.59 g/mol. Its IUPAC name is 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
PubChem CID134307091
Molecular FormulaC32H28N4O11
Molecular Weight644.59 g/mol
Exact Mass644.18
IUPAC Name5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O
InChIInChI=1S/C32H28N4O11/c37-27(21-11-13-25(31(41)42)35(29(21)39)46-15-19-7-3-1-4-8-19)33-23-17-45-18-24(23)34-28(38)22-12-14-26(32(43)44)36(30(22)40)47-16-20-9-5-2-6-10-20/h1-14,23-24H,15-18H2,(H,33,37)(H,34,38)(H,41,42)(H,43,44)/t23-,24+
InChIKeyDRDYIWDCGLACCH-PSWAGMNNSA-N
XLogP0.59
TPSA204.49 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.59
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

2-N-methyl-5-N-[(3R,4S)-4-[[6-[3-[4-[methyl-(6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]butyl-(6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]propylcarbamoyl]-2-oxo-1-phenylmethoxypyridine-3-carbonyl]amino]oxolan-3-yl]-6-oxo-1-phenylmethoxypyridine-2,5-dicarboxamide
CID 155445612
2-oxo-N-[(3S,4R)-4-[[(1E,3E)-8-oxo-7-phenylmethoxy-4-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)cycloocta-1,3-diene-1-carbonyl]amino]oxolan-3-yl]-1-phenylmethoxy-6-(2-sulfanylidenethiepane-3-carbonyl)pyridine-3-carboxamide
CID 134313634
2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid
CID 26763421
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
1-phenylmethoxy-3-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)-6-(2-sulfanylidene-1,3-thiazolidine-3-carbothioyl)pyridin-2-one
CID 88864804
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid (CID 134307091) is 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid is O=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O)c1ccc(C(=O)O)n(OCc2ccccc2)c1=O.
What is the InChIKey of 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is DRDYIWDCGLACCH-PSWAGMNNSA-N. The full InChI is InChI=1S/C32H28N4O11/c37-27(21-11-13-25(31(41)42)35(29(21)39)46-15-19-7-3-1-4-8-19)33-23-17-45-18-24(23)34-28(38)22-12-14-26(32(43)44)36(30(22)40)47-16-20-9-5-2-6-10-20/h1-14,23-24H,15-18H2,(H,33,37)(H,34,38)(H,41,42)(H,43,44)/t23-,24+.
What are the key properties of 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?
5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 644.59 g/mol, XLogP of 0.59, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-4-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]oxolan-3-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 134307091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).