(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide

C24H29N5O2 — CID 11663540

IUPAC(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C24H29N5O2/c25-14-6-10-20(26)23(30)29-22(13-12-17-7-2-1-3-8-17)24(31)28-19-15-18-9-4-5-11-21(18)27-16-19/h1-5,7-9,11,15-16,20,22H,6,10,12-14,25-26H2,(H,28,31)(H,29,30)/t20-,22+/m0/s1
InChIKeyKUXYCYLURMIFID-RBBKRZOGSA-N
MW419.53 g/mol
LogP2.36
Rot. Bonds10

About (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide

(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide (PubChem CID 11663540) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
PubChem CID11663540
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C24H29N5O2/c25-14-6-10-20(26)23(30)29-22(13-12-17-7-2-1-3-8-17)24(31)28-19-15-18-9-4-5-11-21(18)27-16-19/h1-5,7-9,11,15-16,20,22H,6,10,12-14,25-26H2,(H,28,31)(H,29,30)/t20-,22+/m0/s1
InChIKeyKUXYCYLURMIFID-RBBKRZOGSA-N
XLogP2.36
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide (CID 11663540) is (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide is NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide?
The InChIKey is KUXYCYLURMIFID-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H29N5O2/c25-14-6-10-20(26)23(30)29-22(13-12-17-7-2-1-3-8-17)24(31)28-19-15-18-9-4-5-11-21(18)27-16-19/h1-5,7-9,11,15-16,20,22H,6,10,12-14,25-26H2,(H,28,31)(H,29,30)/t20-,22+/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide?
(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide has a molecular weight of 419.53 g/mol, XLogP of 2.36, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pentanamide is sourced from PubChem (CID 11663540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).