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

C10H13NO3 — CID 51440981

IUPAC(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccco1
InChIInChI=1S/C10H13NO3/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h2-3,6,9H,1,4-5,7H2,(H,12,13)/t9-/m0/s1
InChIKeyXXBKDCCAYJJCBB-VIFPVBQESA-N
MW195.22 g/mol
LogP1.33
Rot. Bonds3

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

(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 51440981) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID51440981
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccco1
InChIInChI=1S/C10H13NO3/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h2-3,6,9H,1,4-5,7H2,(H,12,13)/t9-/m0/s1
InChIKeyXXBKDCCAYJJCBB-VIFPVBQESA-N
XLogP1.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
1-(furan-2-ylmethyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid;hydrochloride
CID 76854090
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038731
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 51440981) is (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1Cc1ccco1.
What is the InChIKey of (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XXBKDCCAYJJCBB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)9-4-1-5-11(9)7-8-3-2-6-14-8/h2-3,6,9H,1,4-5,7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 51440981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).