(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide

C15H19N3O2 — CID 106391024

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCn1cccc1
InChIInChI=1S/C15H19N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h1-6,8-9,14,19H,7,10-11,16H2,(H,17,20)/t14-/m1/s1
InChIKeyCOPRLSFDHISLRJ-CQSZACIVSA-N
MW273.34 g/mol
LogP0.88
Rot. Bonds6

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 106391024) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID106391024
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCn1cccc1
InChIInChI=1S/C15H19N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h1-6,8-9,14,19H,7,10-11,16H2,(H,17,20)/t14-/m1/s1
InChIKeyCOPRLSFDHISLRJ-CQSZACIVSA-N
XLogP0.88
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 114350714
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80685029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide (CID 106391024) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NCCn1cccc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is COPRLSFDHISLRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h1-6,8-9,14,19H,7,10-11,16H2,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 106391024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).