[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate

C25H29N3O3 — CID 57401843

IUPAC[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate
SMILESNCCC[C@@H](N)C(=O)OC(CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O3/c26-16-6-11-22(27)25(30)31-23(15-12-18-7-2-1-3-8-18)24(29)28-21-14-13-19-9-4-5-10-20(19)17-21/h1-5,7-10,13-14,17,22-23H,6,11-12,15-16,26-27H2,(H,28,29)/t22-,23?/m1/s1
InChIKeyWBIBPEKIBCUMPF-WTQRLHSKSA-N
MW419.53 g/mol
LogP3.39
Rot. Bonds10

About [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate

[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate (PubChem CID 57401843) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate.

Molecular Properties

Compound Name[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate
PubChem CID57401843
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate
SMILESNCCC[C@@H](N)C(=O)OC(CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H29N3O3/c26-16-6-11-22(27)25(30)31-23(15-12-18-7-2-1-3-8-18)24(29)28-21-14-13-19-9-4-5-10-20(19)17-21/h1-5,7-10,13-14,17,22-23H,6,11-12,15-16,26-27H2,(H,28,29)/t22-,23?/m1/s1
InChIKeyWBIBPEKIBCUMPF-WTQRLHSKSA-N
XLogP3.39
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate?
The IUPAC name of [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate (CID 57401843) is [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate.
What is the SMILES notation for [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate?
The canonical SMILES for [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate is NCCC[C@@H](N)C(=O)OC(CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate?
The InChIKey is WBIBPEKIBCUMPF-WTQRLHSKSA-N. The full InChI is InChI=1S/C25H29N3O3/c26-16-6-11-22(27)25(30)31-23(15-12-18-7-2-1-3-8-18)24(29)28-21-14-13-19-9-4-5-10-20(19)17-21/h1-5,7-10,13-14,17,22-23H,6,11-12,15-16,26-27H2,(H,28,29)/t22-,23?/m1/s1.
What are the key properties of [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate?
[1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate has a molecular weight of 419.53 g/mol, XLogP of 3.39, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylamino)-1-oxo-4-phenylbutan-2-yl] (2R)-2,5-diaminopentanoate is sourced from PubChem (CID 57401843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).