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

C15H23N3O2 — CID 76893887

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h3-6,14,19H,1-2,7-11,16H2,(H,17,20)
InChIKeyLCTJHUGXGFIJLQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds6

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

2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 76893887) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID76893887
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h3-6,14,19H,1-2,7-11,16H2,(H,17,20)
InChIKeyLCTJHUGXGFIJLQ-UHFFFAOYSA-N
XLogP0.47
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846
(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-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106175266
tritert-butyl 10-[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 68612774
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 76893887) is 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is LCTJHUGXGFIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-14(11-12-3-5-13(19)6-4-12)15(20)17-7-10-18-8-1-2-9-18/h3-6,14,19H,1-2,7-11,16H2,(H,17,20).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 76893887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).