1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

C18H22FN3O5 — CID 19709522

IUPAC1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C(C(=O)O)CC(C(=O)N2CCOCC2)C1c1ccccc1F
InChIInChI=1S/C18H22FN3O5/c19-13-4-2-1-3-11(13)16-12(17(24)21-5-7-27-8-6-21)9-14(18(25)26)22(16)15(23)10-20/h1-4,12,14,16H,5-10,20H2,(H,25,26)
InChIKeyYZMBLNPEYSJHCH-UHFFFAOYSA-N
MW379.39 g/mol
LogP-0.01
Rot. Bonds4

About 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 19709522) has the molecular formula C18H22FN3O5 and a molecular weight of 379.39 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID19709522
Molecular FormulaC18H22FN3O5
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC Name1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1C(C(=O)O)CC(C(=O)N2CCOCC2)C1c1ccccc1F
InChIInChI=1S/C18H22FN3O5/c19-13-4-2-1-3-11(13)16-12(17(24)21-5-7-27-8-6-21)9-14(18(25)26)22(16)15(23)10-20/h1-4,12,14,16H,5-10,20H2,(H,25,26)
InChIKeyYZMBLNPEYSJHCH-UHFFFAOYSA-N
XLogP-0.01
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 19709522) is 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is NCC(=O)N1C(C(=O)O)CC(C(=O)N2CCOCC2)C1c1ccccc1F.
What is the InChIKey of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YZMBLNPEYSJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5/c19-13-4-2-1-3-11(13)16-12(17(24)21-5-7-27-8-6-21)9-14(18(25)26)22(16)15(23)10-20/h1-4,12,14,16H,5-10,20H2,(H,25,26).
What are the key properties of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 379.39 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).