2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid

C14H17NO4 — CID 119231823

IUPAC2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C1CCC1
InChIInChI=1S/C14H17NO4/c1-9-7-11(19-8-13(16)17)5-6-12(9)15-14(18)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyVRCBBFHAJDFCHG-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid

2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid (PubChem CID 119231823) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
PubChem CID119231823
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)C1CCC1
InChIInChI=1S/C14H17NO4/c1-9-7-11(19-8-13(16)17)5-6-12(9)15-14(18)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyVRCBBFHAJDFCHG-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231714
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
2-[3-methyl-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 125120862
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436
2-[3-methyl-4-[3-(oxan-4-yl)propanoylamino]phenoxy]acetic acid
CID 119231891
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
2-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3-methylphenoxy]acetic acid
CID 119994967
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
tert-butyl 4-[[4-(2-methoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 55978423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid (CID 119231823) is 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)C1CCC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid?
The InChIKey is VRCBBFHAJDFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-7-11(19-8-13(16)17)5-6-12(9)15-14(18)10-3-2-4-10/h5-7,10H,2-4,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid?
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).