2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid

C12H21NO4 — CID 119178205

IUPAC2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
SMILESCOCC(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-9(8-17-2)12(16)13-5-3-10(4-6-13)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyQVFRLLLXGWLESP-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid

2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid (PubChem CID 119178205) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
PubChem CID119178205
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
SMILESCOCC(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-9(8-17-2)12(16)13-5-3-10(4-6-13)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyQVFRLLLXGWLESP-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119177809
2-[1-(1-methoxypropan-2-yl)azetidin-3-yl]acetic acid
CID 64616494

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid (CID 119178205) is 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid is COCC(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid?
The InChIKey is QVFRLLLXGWLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(8-17-2)12(16)13-5-3-10(4-6-13)7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid?
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).