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

C18H24FN3O4 — CID 19709567

IUPAC1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)C1CC(C(=O)O)N(C(=O)CN)C1c1ccccc1F
InChIInChI=1S/C18H24FN3O4/c1-10(2)9-21-17(24)12-7-14(18(25)26)22(15(23)8-20)16(12)11-5-3-4-6-13(11)19/h3-6,10,12,14,16H,7-9,20H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyHQOJNXZRBMKVLD-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.90
Rot. Bonds6

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

1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 19709567) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID19709567
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Name1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CNC(=O)C1CC(C(=O)O)N(C(=O)CN)C1c1ccccc1F
InChIInChI=1S/C18H24FN3O4/c1-10(2)9-21-17(24)12-7-14(18(25)26)22(15(23)8-20)16(12)11-5-3-4-6-13(11)19/h3-6,10,12,14,16H,7-9,20H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyHQOJNXZRBMKVLD-UHFFFAOYSA-N
XLogP0.90
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 19709567) is 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(C)CNC(=O)C1CC(C(=O)O)N(C(=O)CN)C1c1ccccc1F.
What is the InChIKey of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HQOJNXZRBMKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4/c1-10(2)9-21-17(24)12-7-14(18(25)26)22(15(23)8-20)16(12)11-5-3-4-6-13(11)19/h3-6,10,12,14,16H,7-9,20H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-5-(2-fluorophenyl)-4-(2-methylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19709567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).