(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

C19H24FNO4 — CID 138028384

IUPAC(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2F)C2CCCC2)O1
InChIInChI=1S/C19H24FNO4/c20-15-8-4-1-5-13(15)11-12-21(14-6-2-3-7-14)18(22)16-9-10-17(25-16)19(23)24/h1,4-5,8,14,16-17H,2-3,6-7,9-12H2,(H,23,24)/t16-,17+/m1/s1
InChIKeyLAZUHPNAPWIVEI-SJORKVTESA-N
MW349.40 g/mol
LogP2.77
Rot. Bonds6

About (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid

(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 138028384) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID138028384
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2F)C2CCCC2)O1
InChIInChI=1S/C19H24FNO4/c20-15-8-4-1-5-13(15)11-12-21(14-6-2-3-7-14)18(22)16-9-10-17(25-16)19(23)24/h1,4-5,8,14,16-17H,2-3,6-7,9-12H2,(H,23,24)/t16-,17+/m1/s1
InChIKeyLAZUHPNAPWIVEI-SJORKVTESA-N
XLogP2.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid (CID 138028384) is (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2F)C2CCCC2)O1.
What is the InChIKey of (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LAZUHPNAPWIVEI-SJORKVTESA-N. The full InChI is InChI=1S/C19H24FNO4/c20-15-8-4-1-5-13(15)11-12-21(14-6-2-3-7-14)18(22)16-9-10-17(25-16)19(23)24/h1,4-5,8,14,16-17H,2-3,6-7,9-12H2,(H,23,24)/t16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid?
(2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 349.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[cyclopentyl-[2-(2-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 138028384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).