1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H22N2O4 — CID 106983782

IUPAC1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NCCc2ccco2)C1
InChIInChI=1S/C15H22N2O4/c1-11(2)15(13(18)19)6-8-17(10-15)14(20)16-7-5-12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYQYDCTHHTFCYOK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983782) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983782
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NCCc2ccco2)C1
InChIInChI=1S/C15H22N2O4/c1-11(2)15(13(18)19)6-8-17(10-15)14(20)16-7-5-12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYQYDCTHHTFCYOK-UHFFFAOYSA-N
XLogP1.96
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[furan-2-ylmethyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983695
1-[1-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983701
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984175
1-[3-(methylamino)propylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983750
1-[(5-amino-5-oxopentyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106239010
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983964
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18106072
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983904
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983782) is 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)NCCc2ccco2)C1.
What is the InChIKey of 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is YQYDCTHHTFCYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)15(13(18)19)6-8-17(10-15)14(20)16-7-5-12-4-3-9-21-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).