4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid

C11H17NO5 — CID 110465779

IUPAC4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCOC(=O)C1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-17-11(16)8-3-2-6-12(7-8)9(13)4-5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyVODIGHACKGBLDN-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.26
Rot. Bonds4

About 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid

4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 110465779) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID110465779
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCOC(=O)C1CCCN(C(=O)CCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-17-11(16)8-3-2-6-12(7-8)9(13)4-5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyVODIGHACKGBLDN-UHFFFAOYSA-N
XLogP0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid (CID 110465779) is 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid is COC(=O)C1CCCN(C(=O)CCC(=O)O)C1.
What is the InChIKey of 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is VODIGHACKGBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-17-11(16)8-3-2-6-12(7-8)9(13)4-5-10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid?
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 110465779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).