2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid

C14H17NO4 — CID 82826485

IUPAC2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1c(O)cccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H17NO4/c1-9-10(4-2-5-11(9)16)13(19)15-14(6-3-7-14)8-12(17)18/h2,4-5,16H,3,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPWODLHWHGXOTGM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 82826485) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID82826485
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1c(O)cccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H17NO4/c1-9-10(4-2-5-11(9)16)13(19)15-14(6-3-7-14)8-12(17)18/h2,4-5,16H,3,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPWODLHWHGXOTGM-UHFFFAOYSA-N
XLogP1.83
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79848236
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2-[1-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)cyclobutyl]acetic acid
CID 104558779

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid (CID 82826485) is 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid is Cc1c(O)cccc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is PWODLHWHGXOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-10(4-2-5-11(9)16)13(19)15-14(6-3-7-14)8-12(17)18/h2,4-5,16H,3,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 82826485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).