2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid

C21H20FNO4 — CID 165452018

IUPAC2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1C(F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H20FNO4/c22-18-9-10-23(19(18)11-20(24)25)21(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2,(H,24,25)
InChIKeyYWKVWKQGQLRRMA-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid

2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid (PubChem CID 165452018) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
PubChem CID165452018
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1C(F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H20FNO4/c22-18-9-10-23(19(18)11-20(24)25)21(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2,(H,24,25)
InChIKeyYWKVWKQGQLRRMA-UHFFFAOYSA-N
XLogP3.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
9H-fluoren-9-ylmethyl (3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441228
9H-fluoren-9-ylmethyl 6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67441229
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
(2R,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 171338123
(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
CID 166036291
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167719994

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid (CID 165452018) is 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid is O=C(O)CC1C(F)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid?
The InChIKey is YWKVWKQGQLRRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-18-9-10-23(19(18)11-20(24)25)21(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2,(H,24,25).
What are the key properties of 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid?
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid has a molecular weight of 369.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 165452018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).