(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid

C10H11NO4 — CID 2526737

IUPAC(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C10H11NO4/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m0/s1
InChIKeyHVKHSTWTJLFRBZ-ZETCQYMHSA-N
MW209.20 g/mol
LogP0.97
Rot. Bonds2

About (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 2526737) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID2526737
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C10H11NO4/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m0/s1
InChIKeyHVKHSTWTJLFRBZ-ZETCQYMHSA-N
XLogP0.97
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Furoyl)Glycine
CID 21863
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
N-(2-Furoyl)glycine methyl ester
CID 518748
1-Furfurylpyrrolidine
CID 3768984
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
2-[(Furan-2-carbonyl)-amino]-propionic acid
CID 2827446
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
2-[1-(furan-2-yl)-N-methylformamido]acetic acid
CID 784792
1-[(Furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2777280
N-Furfurylmaleimide
CID 292901
Furoyl-Leucine
CID 774282

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 2526737) is (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HVKHSTWTJLFRBZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(8-4-2-6-15-8)11-5-1-3-7(11)10(13)14/h2,4,6-7H,1,3,5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2526737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).