1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid

C14H18N2O5 — CID 63146805

IUPAC1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCC(C)(C(=O)O)C1)C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20)5-6-16(9-14)11(17)8-15(2)12(18)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyDPFIZDDTSLFWJD-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146805) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146805
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCC(C)(C(=O)O)C1)C(=O)c1ccco1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20)5-6-16(9-14)11(17)8-15(2)12(18)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyDPFIZDDTSLFWJD-UHFFFAOYSA-N
XLogP0.67
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
2-[1-[2-[furan-2-carbonyl(methyl)amino]acetyl]azetidin-3-yl]acetic acid
CID 64603352
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529295
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257410
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
1-[3-(4-ethylphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146439
1-[3-(furan-2-yl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 76986393
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439

Frequently Asked Questions

What is the IUPAC name of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146805) is 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid is CN(CC(=O)N1CCC(C)(C(=O)O)C1)C(=O)c1ccco1.
What is the InChIKey of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DPFIZDDTSLFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(13(19)20)5-6-16(9-14)11(17)8-15(2)12(18)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).