1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid

C17H23NO5 — CID 120538622

IUPAC1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)NC2(C(=O)O)CCCCCC2)cc1
InChIInChI=1S/C17H23NO5/c1-22-13-6-8-14(9-7-13)23-12-15(19)18-17(16(20)21)10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyAYBHTCQYPYTZHF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.37
Rot. Bonds6

About 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid

1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538622) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538622
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESCOc1ccc(OCC(=O)NC2(C(=O)O)CCCCCC2)cc1
InChIInChI=1S/C17H23NO5/c1-22-13-6-8-14(9-7-13)23-12-15(19)18-17(16(20)21)10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyAYBHTCQYPYTZHF-UHFFFAOYSA-N
XLogP2.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
N-[1-(4-methoxyphenyl)cyclopropyl]-2-phenoxyacetamide
CID 113091147
1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]cyclobutane-1-carboxylic acid
CID 81157954
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid (CID 120538622) is 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid is COc1ccc(OCC(=O)NC2(C(=O)O)CCCCCC2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is AYBHTCQYPYTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-13-6-8-14(9-7-13)23-12-15(19)18-17(16(20)21)10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).