3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid

C14H20N2O5 — CID 102699598

IUPAC3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid
SMILESCOC(C)CNC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(21-2)8-15-14(20)16-12(13(18)19)7-10-3-5-11(17)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyUPOJSKNDBKUKHF-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.72
Rot. Bonds7

About 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid

3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid (PubChem CID 102699598) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid
PubChem CID102699598
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid
SMILESCOC(C)CNC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9(21-2)8-15-14(20)16-12(13(18)19)7-10-3-5-11(17)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyUPOJSKNDBKUKHF-UHFFFAOYSA-N
XLogP0.72
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 104905883
(2S)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 61188123
2-(2,2-difluoroethylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 115408106
(2R)-3-(4-hydroxyphenyl)-2-(propan-2-ylcarbamoylamino)propanoic acid
CID 28737836
(2R)-3-(4-hydroxyphenyl)-2-(methylcarbamoylamino)propanoic acid
CID 104904497
3-(4-hydroxyphenyl)-2-(3-methoxypropylcarbamoylamino)propanoic acid
CID 61194452
(2R)-3-(4-hydroxyphenyl)-2-[[2-methyl-3-(methylamino)propanoyl]amino]propanoic acid
CID 103870739
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017548
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 171150433
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 55104944

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid (CID 102699598) is 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid is COC(C)CNC(=O)NC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid?
The InChIKey is UPOJSKNDBKUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(21-2)8-15-14(20)16-12(13(18)19)7-10-3-5-11(17)6-4-10/h3-6,9,12,17H,7-8H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid?
3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(2-methoxypropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 102699598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).