(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid

C9H10ClNO3 — CID 130955627

IUPAC(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](c2ccc(Cl)o2)N1
InChIInChI=1S/C9H10ClNO3/c10-8-4-3-7(14-8)5-1-2-6(11-5)9(12)13/h3-6,11H,1-2H2,(H,12,13)/t5-,6-/m0/s1
InChIKeyDHKCVMNGZJPHFW-WDSKDSINSA-N
MW215.64 g/mol
LogP1.81
Rot. Bonds2

About (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid

(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 130955627) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID130955627
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](c2ccc(Cl)o2)N1
InChIInChI=1S/C9H10ClNO3/c10-8-4-3-7(14-8)5-1-2-6(11-5)9(12)13/h3-6,11H,1-2H2,(H,12,13)/t5-,6-/m0/s1
InChIKeyDHKCVMNGZJPHFW-WDSKDSINSA-N
XLogP1.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 130692441
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
5-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 82399814
5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 175831393
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid (CID 130955627) is (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@@H](c2ccc(Cl)o2)N1.
What is the InChIKey of (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is DHKCVMNGZJPHFW-WDSKDSINSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-8-4-3-7(14-8)5-1-2-6(11-5)9(12)13/h3-6,11H,1-2H2,(H,12,13)/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid?
(2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(5-chlorofuran-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130955627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).