2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid

C15H20N2O5 — CID 155957322

IUPAC2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCO[C@@H]1CN(C(=O)c2cccn(CC(=O)O)c2=O)CC[C@H]1C
InChIInChI=1S/C15H20N2O5/c1-10-5-7-17(8-12(10)22-2)15(21)11-4-3-6-16(14(11)20)9-13(18)19/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1
InChIKeyODZQCMMKKZAHSL-ZYHUDNBSSA-N
MW308.33 g/mol
LogP0.43
Rot. Bonds4

About 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid

2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 155957322) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID155957322
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCO[C@@H]1CN(C(=O)c2cccn(CC(=O)O)c2=O)CC[C@H]1C
InChIInChI=1S/C15H20N2O5/c1-10-5-7-17(8-12(10)22-2)15(21)11-4-3-6-16(14(11)20)9-13(18)19/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1
InChIKeyODZQCMMKKZAHSL-ZYHUDNBSSA-N
XLogP0.43
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669
2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 110082553
[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 126454708
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102963984

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid (CID 155957322) is 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid is CO[C@@H]1CN(C(=O)c2cccn(CC(=O)O)c2=O)CC[C@H]1C.
What is the InChIKey of 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is ODZQCMMKKZAHSL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-5-7-17(8-12(10)22-2)15(21)11-4-3-6-16(14(11)20)9-13(18)19/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1.
What are the key properties of 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 155957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).