methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate

C15H20N2O4 — CID 95480071

IUPACmethyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cccnc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)6-8-17(11-13-5-3-9-21-13)15(19)12-4-2-7-16-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyDEOWZZXUZDOEJY-CYBMUJFWSA-N
MW292.33 g/mol
LogP1.27
Rot. Bonds6

About methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate

methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate (PubChem CID 95480071) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
PubChem CID95480071
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cccnc1
InChIInChI=1S/C15H20N2O4/c1-20-14(18)6-8-17(11-13-5-3-9-21-13)15(19)12-4-2-7-16-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyDEOWZZXUZDOEJY-CYBMUJFWSA-N
XLogP1.27
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(2-methylpyrazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964016
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
methyl 3-[(5-methyl-1H-pyrazole-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964050
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120
5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[[(2R)-oxolan-2-yl]methyl-(4-thiophen-2-ylbutanoyl)amino]propanoate
CID 95627935
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate (CID 95480071) is methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate is COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cccnc1.
What is the InChIKey of methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate?
The InChIKey is DEOWZZXUZDOEJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-14(18)6-8-17(11-13-5-3-9-21-13)15(19)12-4-2-7-16-10-12/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate?
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate has a molecular weight of 292.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 95480071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).