(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride

C10H14ClNO3 — CID 118704946

IUPAC(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1
InChIInChI=1S/C10H13NO3.ClH/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8;/h1-3,7,9,11H,4-6H2,(H,12,13);1H/t7-,9+;/m1./s1
InChIKeyYYTSAJFELZRCIG-JXLXBRSFSA-N
MW231.68 g/mol
LogP1.31
Rot. Bonds3

About (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 118704946) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID118704946
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1
InChIInChI=1S/C10H13NO3.ClH/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8;/h1-3,7,9,11H,4-6H2,(H,12,13);1H/t7-,9+;/m1./s1
InChIKeyYYTSAJFELZRCIG-JXLXBRSFSA-N
XLogP1.31
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398207
(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 117270170
(2R,4S)-4-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133109226
(2R,4S)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133114737
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 70545181
2-(cyclobutylmethyl)furan
CID 139469251
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
4-(furan-2-ylmethyl)piperidine
CID 83480581
(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
CID 112710160

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 118704946) is (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccco2)CN1.
What is the InChIKey of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is YYTSAJFELZRCIG-JXLXBRSFSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c12-10(13)9-5-7(6-11-9)4-8-2-1-3-14-8;/h1-3,7,9,11H,4-6H2,(H,12,13);1H/t7-,9+;/m1./s1.
What are the key properties of (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 118704946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).