(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C11H13NO4 — CID 95020168

IUPAC(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C11H13NO4/c1-11(10(14)15)4-5-12(7-11)9(13)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyHEVRXCAEZQDESV-LLVKDONJSA-N
MW223.23 g/mol
LogP1.22
Rot. Bonds2

About (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 95020168) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID95020168
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2ccco2)C1
InChIInChI=1S/C11H13NO4/c1-11(10(14)15)4-5-12(7-11)9(13)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyHEVRXCAEZQDESV-LLVKDONJSA-N
XLogP1.22
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146805
1-[3-(furan-2-yl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 76986393
(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695780
3-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119257353
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 95020168) is (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HEVRXCAEZQDESV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(10(14)15)4-5-12(7-11)9(13)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95020168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).