(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid

C12H16N2O6 — CID 154111425

IUPAC(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCCOC1OC(=O)C=C1NC(=O)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C12H16N2O6/c1-2-19-11-7(6-9(15)20-11)13-10(16)8-4-3-5-14(8)12(17)18/h6,8,11H,2-5H2,1H3,(H,13,16)(H,17,18)/t8-,11?/m1/s1
InChIKeyYHGYMGLHCCXMDF-RZZZFEHKSA-N
MW284.27 g/mol
LogP0.05
Rot. Bonds4

About (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid

(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 154111425) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID154111425
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCCOC1OC(=O)C=C1NC(=O)[C@H]1CCCN1C(=O)O
InChIInChI=1S/C12H16N2O6/c1-2-19-11-7(6-9(15)20-11)13-10(16)8-4-3-5-14(8)12(17)18/h6,8,11H,2-5H2,1H3,(H,13,16)(H,17,18)/t8-,11?/m1/s1
InChIKeyYHGYMGLHCCXMDF-RZZZFEHKSA-N
XLogP0.05
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 158180191
benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 59730811
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225300
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118691660
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 154111425) is (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid is CCOC1OC(=O)C=C1NC(=O)[C@H]1CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is YHGYMGLHCCXMDF-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-2-19-11-7(6-9(15)20-11)13-10(16)8-4-3-5-14(8)12(17)18/h6,8,11H,2-5H2,1H3,(H,13,16)(H,17,18)/t8-,11?/m1/s1.
What are the key properties of (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154111425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).