1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid

C15H22N2O4 — CID 107072033

IUPAC1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(C)C(=O)NCc2ccco2)C1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-3-7-17(13(10)15(19)20)11(2)14(18)16-9-12-6-4-8-21-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLOFHJPWLFPTFGZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.47
Rot. Bonds5

About 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid

1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072033) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072033
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(C)C(=O)NCc2ccco2)C1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-3-7-17(13(10)15(19)20)11(2)14(18)16-9-12-6-4-8-21-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLOFHJPWLFPTFGZ-UHFFFAOYSA-N
XLogP1.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81219393
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid (CID 107072033) is 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(C)C(=O)NCc2ccco2)C1C(=O)O.
What is the InChIKey of 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is LOFHJPWLFPTFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-5-3-7-17(13(10)15(19)20)11(2)14(18)16-9-12-6-4-8-21-12/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid?
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).