(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide

C24H27N5O2 — CID 21341424

IUPAC(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H27N5O2/c25-18-13-22(26-14-18)24(31)29-21(11-10-16-6-2-1-3-7-16)23(30)28-19-12-17-8-4-5-9-20(17)27-15-19/h1-9,12,15,18,21-22,26H,10-11,13-14,25H2,(H,28,30)(H,29,31)/t18-,21-,22+/m1/s1
InChIKeyPPKCOKQYGYRCLI-QIJUGHKUSA-N
MW417.51 g/mol
LogP1.98
Rot. Bonds7

About (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 21341424) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide
PubChem CID21341424
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide
SMILESN[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C24H27N5O2/c25-18-13-22(26-14-18)24(31)29-21(11-10-16-6-2-1-3-7-16)23(30)28-19-12-17-8-4-5-9-20(17)27-15-19/h1-9,12,15,18,21-22,26H,10-11,13-14,25H2,(H,28,30)(H,29,31)/t18-,21-,22+/m1/s1
InChIKeyPPKCOKQYGYRCLI-QIJUGHKUSA-N
XLogP1.98
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-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 (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide (CID 21341424) is (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide is N[C@H]1CN[C@H](C(=O)N[C@H](CCc2ccccc2)C(=O)Nc2cnc3ccccc3c2)C1.
What is the InChIKey of (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is PPKCOKQYGYRCLI-QIJUGHKUSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-18-13-22(26-14-18)24(31)29-21(11-10-16-6-2-1-3-7-16)23(30)28-19-12-17-8-4-5-9-20(17)27-15-19/h1-9,12,15,18,21-22,26H,10-11,13-14,25H2,(H,28,30)(H,29,31)/t18-,21-,22+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 21341424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).