(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid

C16H16FNO3 — CID 122038731

IUPAC(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H16FNO3/c17-13-5-2-1-4-12(13)15-8-7-11(21-15)10-18-9-3-6-14(18)16(19)20/h1-2,4-5,7-8,14H,3,6,9-10H2,(H,19,20)/t14-/m0/s1
InChIKeyOJRCPNCTJOXMBQ-AWEZNQCLSA-N
MW289.31 g/mol
LogP3.13
Rot. Bonds4

About (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid

(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038731) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID122038731
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H16FNO3/c17-13-5-2-1-4-12(13)15-8-7-11(21-15)10-18-9-3-6-14(18)16(19)20/h1-2,4-5,7-8,14H,3,6,9-10H2,(H,19,20)/t14-/m0/s1
InChIKeyOJRCPNCTJOXMBQ-AWEZNQCLSA-N
XLogP3.13
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 122040351
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
CID 122040434
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]piperidine-2-carboxylic acid
CID 122040317
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(5-bromofuran-2-yl)methyl]azepane-2-carboxylic acid
CID 64562185
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 122038731) is (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OJRCPNCTJOXMBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-5-2-1-4-12(13)15-8-7-11(21-15)10-18-9-3-6-14(18)16(19)20/h1-2,4-5,7-8,14H,3,6,9-10H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).