1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid

C15H20N2O5 — CID 122119401

IUPAC1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(C)NC(=O)c2ccco2)C1
InChIInChI=1S/C15H20N2O5/c1-9-6-11(15(20)21)8-17(7-9)14(19)10(2)16-13(18)12-4-3-5-22-12/h3-5,9-11H,6-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyXTVIXWNCPBPRRW-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.97
Rot. Bonds4

About 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119401) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119401
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(C)NC(=O)c2ccco2)C1
InChIInChI=1S/C15H20N2O5/c1-9-6-11(15(20)21)8-17(7-9)14(19)10(2)16-13(18)12-4-3-5-22-12/h3-5,9-11H,6-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyXTVIXWNCPBPRRW-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
N-[1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 115775311
(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144159
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42908363
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
(3R,4R)-4-cyclopropyl-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 120979628
(3S,4S)-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122119401) is 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)C(C)NC(=O)c2ccco2)C1.
What is the InChIKey of 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XTVIXWNCPBPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9-6-11(15(20)21)8-17(7-9)14(19)10(2)16-13(18)12-4-3-5-22-12/h3-5,9-11H,6-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 0.97, 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]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).