(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide

C13H20N2O4 — CID 104904975

IUPAC(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCOCCO
InChIInChI=1S/C13H20N2O4/c14-12(9-10-1-3-11(17)4-2-10)13(18)15-5-7-19-8-6-16/h1-4,12,16-17H,5-9,14H2,(H,15,18)/t12-/m1/s1
InChIKeyOCIQSYVWZYXAPN-GFCCVEGCSA-N
MW268.31 g/mol
LogP-0.61
Rot. Bonds8

About (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904975) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID104904975
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCCOCCO
InChIInChI=1S/C13H20N2O4/c14-12(9-10-1-3-11(17)4-2-10)13(18)15-5-7-19-8-6-16/h1-4,12,16-17H,5-9,14H2,(H,15,18)/t12-/m1/s1
InChIKeyOCIQSYVWZYXAPN-GFCCVEGCSA-N
XLogP-0.61
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(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
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 71351315
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 104904975) is (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NCCOCCO.
What is the InChIKey of (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is OCIQSYVWZYXAPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O4/c14-12(9-10-1-3-11(17)4-2-10)13(18)15-5-7-19-8-6-16/h1-4,12,16-17H,5-9,14H2,(H,15,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 268.31 g/mol, XLogP of -0.61, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).