methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C19H21N3O8 — CID 124917768

IUPACmethyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@H](CC(N)=O)c2ccc(OC)c(OCC(N)=O)c2)c1O
InChIInChI=1S/C19H21N3O8/c1-28-12-4-3-9(5-13(12)30-8-15(21)24)10(6-14(20)23)16-17(25)11(19(27)29-2)7-22-18(16)26/h3-5,7,10H,6,8H2,1-2H3,(H2,20,23)(H2,21,24)(H2,22,25,26)/t10-/m1/s1
InChIKeyTWZWLHBFQCMFND-SNVBAGLBSA-N
MW419.39 g/mol
LogP-0.25
Rot. Bonds9

About methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124917768) has the molecular formula C19H21N3O8 and a molecular weight of 419.39 g/mol. Its IUPAC name is methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID124917768
Molecular FormulaC19H21N3O8
Molecular Weight419.39 g/mol
Exact Mass419.13
IUPAC Namemethyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c([C@H](CC(N)=O)c2ccc(OC)c(OCC(N)=O)c2)c1O
InChIInChI=1S/C19H21N3O8/c1-28-12-4-3-9(5-13(12)30-8-15(21)24)10(6-14(20)23)16-17(25)11(19(27)29-2)7-22-18(16)26/h3-5,7,10H,6,8H2,1-2H3,(H2,20,23)(H2,21,24)(H2,22,25,26)/t10-/m1/s1
InChIKeyTWZWLHBFQCMFND-SNVBAGLBSA-N
XLogP-0.25
TPSA184.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[3-amino-1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110207479
methyl 5-[1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 102564931
methyl 5-[(1R)-3-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917605
methyl 5-[(1R)-3-amino-3-oxo-1-[4-(trifluoromethyl)phenyl]propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124850413
methyl 5-[(1S)-3-amino-1-(4-methoxynaphthalen-1-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917563
methyl 5-[3-amino-1-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110208200
methyl 4-hydroxy-5-[3-methoxy-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-6-oxo-1H-pyridine-3-carboxylate
CID 102565052
methyl 5-[3-amino-1-(1-methylpyrazol-4-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 110204399
ethyl 5-[3-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91973592
methyl 5-[(1R)-3-amino-1-(2-chloro-3-pyridinyl)-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917716
methyl 5-[(1R)-3-amino-1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 124917823
methyl 5-[1-(3-chlorophenyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91821071

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 124917768) is methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c([C@H](CC(N)=O)c2ccc(OC)c(OCC(N)=O)c2)c1O.
What is the InChIKey of methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is TWZWLHBFQCMFND-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21N3O8/c1-28-12-4-3-9(5-13(12)30-8-15(21)24)10(6-14(20)23)16-17(25)11(19(27)29-2)7-22-18(16)26/h3-5,7,10H,6,8H2,1-2H3,(H2,20,23)(H2,21,24)(H2,22,25,26)/t10-/m1/s1.
What are the key properties of methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 419.39 g/mol, XLogP of -0.25, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-3-amino-1-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-oxopropyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124917768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).