4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid

C10H17NO4 — CID 129412716

IUPAC4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
SMILESCO[C@H]1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-15-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGEQRIJFUAWBKKC-QMMMGPOBSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds4

About 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid

4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid (PubChem CID 129412716) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
PubChem CID129412716
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
SMILESCO[C@H]1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-15-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGEQRIJFUAWBKKC-QMMMGPOBSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 93204224
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid (CID 129412716) is 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid is CO[C@H]1CCCN(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is GEQRIJFUAWBKKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid?
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 129412716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).