(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide

C24H29N5O2 — CID 123654597

IUPAC(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2nccnc2c1
InChIInChI=1S/C24H29N5O2/c25-12-4-7-19(26)24(31)29-21(11-8-17-5-2-1-3-6-17)23(30)16-18-9-10-20-22(15-18)28-14-13-27-20/h1-3,5-6,9-10,13-15,19,21H,4,7-8,11-12,16,25-26H2,(H,29,31)/t19-,21+/m0/s1
InChIKeySXHXWGPXGKKRHO-PZJWPPBQSA-N
MW419.53 g/mol
LogP1.93
Rot. Bonds11

About (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide

(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide (PubChem CID 123654597) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
PubChem CID123654597
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2nccnc2c1
InChIInChI=1S/C24H29N5O2/c25-12-4-7-19(26)24(31)29-21(11-8-17-5-2-1-3-6-17)23(30)16-18-9-10-20-22(15-18)28-14-13-27-20/h1-3,5-6,9-10,13-15,19,21H,4,7-8,11-12,16,25-26H2,(H,29,31)/t19-,21+/m0/s1
InChIKeySXHXWGPXGKKRHO-PZJWPPBQSA-N
XLogP1.93
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide (CID 123654597) is (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide is NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2nccnc2c1.
What is the InChIKey of (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide?
The InChIKey is SXHXWGPXGKKRHO-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-12-4-7-19(26)24(31)29-21(11-8-17-5-2-1-3-6-17)23(30)16-18-9-10-20-22(15-18)28-14-13-27-20/h1-3,5-6,9-10,13-15,19,21H,4,7-8,11-12,16,25-26H2,(H,29,31)/t19-,21+/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide?
(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide has a molecular weight of 419.53 g/mol, XLogP of 1.93, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide is sourced from PubChem (CID 123654597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).