(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide

C15H18N4O2 — CID 24901612

IUPAC(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N4O2/c16-13(15(17)21)7-8-14(20)18-11-3-5-12(6-4-11)19-9-1-2-10-19/h1-6,9-10,13H,7-8,16H2,(H2,17,21)(H,18,20)/t13-/m0/s1
InChIKeyXUUJHPOHRREVET-ZDUSSCGKSA-N
MW286.34 g/mol
LogP1.01
Rot. Bonds6

About (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide

(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide (PubChem CID 24901612) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide
PubChem CID24901612
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide
SMILESNC(=O)[C@@H](N)CCC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N4O2/c16-13(15(17)21)7-8-14(20)18-11-3-5-12(6-4-11)19-9-1-2-10-19/h1-6,9-10,13H,7-8,16H2,(H2,17,21)(H,18,20)/t13-/m0/s1
InChIKeyXUUJHPOHRREVET-ZDUSSCGKSA-N
XLogP1.01
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide (CID 24901612) is (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide is NC(=O)[C@@H](N)CCC(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide?
The InChIKey is XUUJHPOHRREVET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-13(15(17)21)7-8-14(20)18-11-3-5-12(6-4-11)19-9-1-2-10-19/h1-6,9-10,13H,7-8,16H2,(H2,17,21)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide?
(2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide has a molecular weight of 286.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide is sourced from PubChem (CID 24901612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).