3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid

C15H20N2O5 — CID 119232964

IUPAC3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N2O5/c1-16(9-7-13(18)19)14(20)11-5-2-3-8-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,18,19)
InChIKeyYDBJRNLNRQJLQM-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.21
Rot. Bonds5

About 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid

3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid (PubChem CID 119232964) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
PubChem CID119232964
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C15H20N2O5/c1-16(9-7-13(18)19)14(20)11-5-2-3-8-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,18,19)
InChIKeyYDBJRNLNRQJLQM-UHFFFAOYSA-N
XLogP1.21
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 94815039
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 55973868
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119551072
1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 165343506
3-[[1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119233054
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid (CID 119232964) is 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid?
The InChIKey is YDBJRNLNRQJLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-16(9-7-13(18)19)14(20)11-5-2-3-8-17(11)15(21)12-6-4-10-22-12/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,18,19).
What are the key properties of 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid?
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119232964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).