1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid

C15H20N2O5 — CID 122083894

IUPAC1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H20N2O5/c1-9-5-6-11(15(20)21)8-17(9)14(19)10(2)16-13(18)12-4-3-7-22-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyJJCVBYUBJXNHBT-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.11
Rot. Bonds4

About 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid

1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083894) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122083894
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C15H20N2O5/c1-9-5-6-11(15(20)21)8-17(9)14(19)10(2)16-13(18)12-4-3-7-22-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyJJCVBYUBJXNHBT-UHFFFAOYSA-N
XLogP1.11
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114461
(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144159
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
CID 94443674
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid (CID 122083894) is 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid is CC(NC(=O)c1ccco1)C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is JJCVBYUBJXNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9-5-6-11(15(20)21)8-17(9)14(19)10(2)16-13(18)12-4-3-7-22-12/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).