2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid

C17H23NO5 — CID 120552693

IUPAC2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
SMILESCOC1C(C)C(NC(=O)c2cccc(OCC(=O)O)c2)C1(C)C
InChIInChI=1S/C17H23NO5/c1-10-14(17(2,3)15(10)22-4)18-16(21)11-6-5-7-12(8-11)23-9-13(19)20/h5-8,10,14-15H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyKCABLJFUIUJUBH-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.94
Rot. Bonds6

About 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid

2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid (PubChem CID 120552693) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
PubChem CID120552693
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
SMILESCOC1C(C)C(NC(=O)c2cccc(OCC(=O)O)c2)C1(C)C
InChIInChI=1S/C17H23NO5/c1-10-14(17(2,3)15(10)22-4)18-16(21)11-6-5-7-12(8-11)23-9-13(19)20/h5-8,10,14-15H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyKCABLJFUIUJUBH-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552545
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 136552214
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-[3-[(2-methyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 120552523
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid (CID 120552693) is 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid is COC1C(C)C(NC(=O)c2cccc(OCC(=O)O)c2)C1(C)C.
What is the InChIKey of 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is KCABLJFUIUJUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-10-14(17(2,3)15(10)22-4)18-16(21)11-6-5-7-12(8-11)23-9-13(19)20/h5-8,10,14-15H,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid?
2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120552693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).