2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid

C15H19FN2O3 — CID 99777227

IUPAC2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCC(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-6-12(11-2-4-13(16)5-3-11)8-18(10)9-14(19)17-7-15(20)21/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,20,21)/t10-,12+/m1/s1
InChIKeyLIJWLRCEAKRXRH-PWSUYJOCSA-N
MW294.33 g/mol
LogP1.20
Rot. Bonds5

About 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid

2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid (PubChem CID 99777227) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
PubChem CID99777227
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCC(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-6-12(11-2-4-13(16)5-3-11)8-18(10)9-14(19)17-7-15(20)21/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,20,21)/t10-,12+/m1/s1
InChIKeyLIJWLRCEAKRXRH-PWSUYJOCSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid (CID 99777227) is 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid is C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid?
The InChIKey is LIJWLRCEAKRXRH-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-12(11-2-4-13(16)5-3-11)8-18(10)9-14(19)17-7-15(20)21/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H,20,21)/t10-,12+/m1/s1.
What are the key properties of 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid?
2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 99777227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).