methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate

C18H25N3O6 — CID 157017891

IUPACmethyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc[nH]c2=O)[C@H](OC)C1
InChIInChI=1S/C18H25N3O6/c1-26-14-10-11(16(23)20-9-7-15(22)27-2)5-6-13(14)21-18(25)12-4-3-8-19-17(12)24/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)/t11-,13+,14+/m0/s1
InChIKeyWMEYKTLFLBCWAG-IACUBPJLSA-N
MW379.41 g/mol
LogP-0.03
Rot. Bonds7

About methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate

methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate (PubChem CID 157017891) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate
PubChem CID157017891
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Namemethyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc[nH]c2=O)[C@H](OC)C1
InChIInChI=1S/C18H25N3O6/c1-26-14-10-11(16(23)20-9-7-15(22)27-2)5-6-13(14)21-18(25)12-4-3-8-19-17(12)24/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)/t11-,13+,14+/m0/s1
InChIKeyWMEYKTLFLBCWAG-IACUBPJLSA-N
XLogP-0.03
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617262
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 3-[[(1S,3R,4R)-3-hydroxy-4-[(2-phenylacetyl)amino]cyclohexanecarbonyl]amino]propanoate
CID 162637072
2-fluoro-N-[(1R,2R,4S)-2-methoxy-4-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
CID 155500637
methyl 2-[[(1S,3R,4R)-4-[(4,6-dimethylpyrimidine-5-carbonyl)amino]-3-methoxycyclohexanecarbonyl]amino]acetate
CID 155913537
N-(2-hydroxycyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
CID 62365088
N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 162632393
N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 162632981
N-[2-[[(1R,2R,4S)-4-(cyclobutylcarbamoyl)-2-methoxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 155910427
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 162637213

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate (CID 157017891) is methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc[nH]c2=O)[C@H](OC)C1.
What is the InChIKey of methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate?
The InChIKey is WMEYKTLFLBCWAG-IACUBPJLSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-26-14-10-11(16(23)20-9-7-15(22)27-2)5-6-13(14)21-18(25)12-4-3-8-19-17(12)24/h3-4,8,11,13-14H,5-7,9-10H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)/t11-,13+,14+/m0/s1.
What are the key properties of methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate?
methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate has a molecular weight of 379.41 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 157017891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).