(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide

C12H18N2O4 — CID 104905303

IUPAC(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCC(O)CO
InChIInChI=1S/C12H18N2O4/c13-11(12(18)14-6-10(17)7-15)5-8-1-3-9(16)4-2-8/h1-4,10-11,15-17H,5-7,13H2,(H,14,18)/t10?,11-/m1/s1
InChIKeyKQWJPIPDXVOKGS-RRKGBCIJSA-N
MW254.29 g/mol
LogP-1.27
Rot. Bonds6

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

(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905303) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905303
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCC(O)CO
InChIInChI=1S/C12H18N2O4/c13-11(12(18)14-6-10(17)7-15)5-8-1-3-9(16)4-2-8/h1-4,10-11,15-17H,5-7,13H2,(H,14,18)/t10?,11-/m1/s1
InChIKeyKQWJPIPDXVOKGS-RRKGBCIJSA-N
XLogP-1.27
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylsulfanylpropyl)propanamide
CID 104861427
2-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]butanoic acid
CID 65224541
(2S)-2-amino-N-[(2S,3S)-2-amino-3-hydroxy-3-(4-iodophenyl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 56658410
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide (CID 104905303) is (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NCC(O)CO.
What is the InChIKey of (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is KQWJPIPDXVOKGS-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-11(12(18)14-6-10(17)7-15)5-8-1-3-9(16)4-2-8/h1-4,10-11,15-17H,5-7,13H2,(H,14,18)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -1.27, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).