(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

C14H13FN2O3 — CID 138596030

IUPAC(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C14H13FN2O3/c15-8-3-4-9-10(7-16-11(9)6-8)13(18)12-2-1-5-17(12)14(19)20/h3-4,6-7,12,16H,1-2,5H2,(H,19,20)/t12-/m0/s1
InChIKeyYVNZKFHOKNZBHL-LBPRGKRZSA-N
MW276.27 g/mol
LogP2.63
Rot. Bonds2

About (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid

(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 138596030) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID138596030
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C14H13FN2O3/c15-8-3-4-9-10(7-16-11(9)6-8)13(18)12-2-1-5-17(12)14(19)20/h3-4,6-7,12,16H,1-2,5H2,(H,19,20)/t12-/m0/s1
InChIKeyYVNZKFHOKNZBHL-LBPRGKRZSA-N
XLogP2.63
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175554398
[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244423
1-[(2R)-2-(5-fluoro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 175554389
2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175336143
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 104518074
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(2R,3R)-1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116474
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid (CID 138596030) is (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is O=C(c1c[nH]c2cc(F)ccc12)[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is YVNZKFHOKNZBHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-8-3-4-9-10(7-16-11(9)6-8)13(18)12-2-1-5-17(12)14(19)20/h3-4,6-7,12,16H,1-2,5H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138596030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).