4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid

C14H18N2O5 — CID 103871078

IUPAC4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H18N2O5/c15-11(7-9-1-3-10(17)4-2-9)13(18)16-5-6-21-8-12(16)14(19)20/h1-4,11-12,17H,5-8,15H2,(H,19,20)/t11-,12?/m1/s1
InChIKeyPHBCDONJAVEYSP-JHJMLUEUSA-N
MW294.31 g/mol
LogP-0.43
Rot. Bonds4

About 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid

4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 103871078) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid
PubChem CID103871078
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H18N2O5/c15-11(7-9-1-3-10(17)4-2-9)13(18)16-5-6-21-8-12(16)14(19)20/h1-4,11-12,17H,5-8,15H2,(H,19,20)/t11-,12?/m1/s1
InChIKeyPHBCDONJAVEYSP-JHJMLUEUSA-N
XLogP-0.43
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722
1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780238
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
(2S)-1-[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]azetidine-2-carboxylic acid
CID 22958434
(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
CID 68524522
2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18232113
4-[(4-hydroxyphenyl)-methylcarbamoyl]morpholine-3-carboxylic acid
CID 107737030
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883213
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104904754
(2S)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61409766

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid (CID 103871078) is 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid is N[C@H](Cc1ccc(O)cc1)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is PHBCDONJAVEYSP-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-11(7-9-1-3-10(17)4-2-9)13(18)16-5-6-21-8-12(16)14(19)20/h1-4,11-12,17H,5-8,15H2,(H,19,20)/t11-,12?/m1/s1.
What are the key properties of 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid?
4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 103871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).