2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid

C14H24N2O5 — CID 83199545

IUPAC2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCOC(=O)CN(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,12(18)19)10-6-5-7-16(8-10)13(20)15(3)9-11(17)21-4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyLCRIUXINCLYNOV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.03
Rot. Bonds4

About 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83199545) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83199545
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCOC(=O)CN(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,12(18)19)10-6-5-7-16(8-10)13(20)15(3)9-11(17)21-4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyLCRIUXINCLYNOV-UHFFFAOYSA-N
XLogP1.03
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 104553178
2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
2-[1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199818

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid (CID 83199545) is 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid is COC(=O)CN(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is LCRIUXINCLYNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,12(18)19)10-6-5-7-16(8-10)13(20)15(3)9-11(17)21-4/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83199545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).