(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide

C24H30FN3O2 — CID 145286628

IUPAC(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)C1
InChIInChI=1S/C24H30FN3O2/c1-30-19-14-22(27-15-19)23(29)28-21-13-18(9-10-20(21)25)24(26,12-11-16-7-8-16)17-5-3-2-4-6-17/h2-6,9-10,13,16,19,22,27H,7-8,11-12,14-15,26H2,1H3,(H,28,29)/t19-,22-,24?/m1/s1
InChIKeyLWEFGAIXXKGDJE-NKHNCIPHSA-N
MW411.52 g/mol
LogP3.53
Rot. Bonds8

About (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide

(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 145286628) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID145286628
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)C1
InChIInChI=1S/C24H30FN3O2/c1-30-19-14-22(27-15-19)23(29)28-21-13-18(9-10-20(21)25)24(26,12-11-16-7-8-16)17-5-3-2-4-6-17/h2-6,9-10,13,16,19,22,27H,7-8,11-12,14-15,26H2,1H3,(H,28,29)/t19-,22-,24?/m1/s1
InChIKeyLWEFGAIXXKGDJE-NKHNCIPHSA-N
XLogP3.53
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide (CID 145286628) is (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1CN[C@@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)C1.
What is the InChIKey of (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is LWEFGAIXXKGDJE-NKHNCIPHSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-30-19-14-22(27-15-19)23(29)28-21-13-18(9-10-20(21)25)24(26,12-11-16-7-8-16)17-5-3-2-4-6-17/h2-6,9-10,13,16,19,22,27H,7-8,11-12,14-15,26H2,1H3,(H,28,29)/t19-,22-,24?/m1/s1.
What are the key properties of (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide?
(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 145286628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).