3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid

C14H24N2O4 — CID 103536351

IUPAC3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESCOC1CCN(C(=O)N2CCCC(CCC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O4/c1-20-12-6-8-16(10-12)14(19)15-7-2-3-11(9-15)4-5-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyKPSQUMHNLVOMHC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds4

About 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 103536351) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID103536351
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESCOC1CCN(C(=O)N2CCCC(CCC(=O)O)C2)C1
InChIInChI=1S/C14H24N2O4/c1-20-12-6-8-16(10-12)14(19)15-7-2-3-11(9-15)4-5-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyKPSQUMHNLVOMHC-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477
3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 62669121
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
4-[(3-methoxypyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 103535057
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid (CID 103536351) is 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid is COC1CCN(C(=O)N2CCCC(CCC(=O)O)C2)C1.
What is the InChIKey of 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is KPSQUMHNLVOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-12-6-8-16(10-12)14(19)15-7-2-3-11(9-15)4-5-13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 103536351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).