2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid

C19H21NO6 — CID 69435554

IUPAC2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
SMILESCCC(C(=O)O)N(Cc1ccc(O)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C19H21NO6/c1-3-17(18(22)23)20(12-13-4-6-14(21)7-5-13)19(24)26-16-10-8-15(25-2)9-11-16/h4-11,17,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyXHYWSGRKXFSKNX-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.27
Rot. Bonds7

About 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid

2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid (PubChem CID 69435554) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
PubChem CID69435554
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
SMILESCCC(C(=O)O)N(Cc1ccc(O)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C19H21NO6/c1-3-17(18(22)23)20(12-13-4-6-14(21)7-5-13)19(24)26-16-10-8-15(25-2)9-11-16/h4-11,17,21H,3,12H2,1-2H3,(H,22,23)
InChIKeyXHYWSGRKXFSKNX-UHFFFAOYSA-N
XLogP3.27
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2-indol-1-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 11752418
2-[[4-[2-(3-ethyl-4-methyl-6-oxo-2-sulfanylidenepyrimidin-1-yl)ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 11353437
(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
CID 59112070
4-[[butan-2-yl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 143325081
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]butanamide
CID 132673242
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[benzyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-methylbutanamide
CID 132661305
(2R)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)butanamide
CID 100502820
2-[butanoyl-[(4-methoxyphenyl)methyl]amino]-N-butan-2-ylbutanamide
CID 132700582

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid (CID 69435554) is 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid is CCC(C(=O)O)N(Cc1ccc(O)cc1)C(=O)Oc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid?
The InChIKey is XHYWSGRKXFSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-3-17(18(22)23)20(12-13-4-6-14(21)7-5-13)19(24)26-16-10-8-15(25-2)9-11-16/h4-11,17,21H,3,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid?
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid is sourced from PubChem (CID 69435554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).