(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide

C13H21N3O2 — CID 104904980

IUPAC(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
SMILESNCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H21N3O2/c14-7-1-2-8-16-13(18)12(15)9-10-3-5-11(17)6-4-10/h3-6,12,17H,1-2,7-9,14-15H2,(H,16,18)/t12-/m1/s1
InChIKeyLCLLVJOVUDNEML-GFCCVEGCSA-N
MW251.33 g/mol
LogP0.12
Rot. Bonds7

About (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904980) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104904980
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
SMILESNCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H21N3O2/c14-7-1-2-8-16-13(18)12(15)9-10-3-5-11(17)6-4-10/h3-6,12,17H,1-2,7-9,14-15H2,(H,16,18)/t12-/m1/s1
InChIKeyLCLLVJOVUDNEML-GFCCVEGCSA-N
XLogP0.12
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2S)-2-amino-N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 61275867
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide (CID 104904980) is (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide is NCCCCNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is LCLLVJOVUDNEML-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-7-1-2-8-16-13(18)12(15)9-10-3-5-11(17)6-4-10/h3-6,12,17H,1-2,7-9,14-15H2,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).