2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid

C15H20N2O4 — CID 107737252

IUPAC2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCN(C(=O)NCC1(CC(=O)O)CCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O4/c1-17(11-4-2-5-12(18)8-11)14(21)16-10-15(6-3-7-15)9-13(19)20/h2,4-5,8,18H,3,6-7,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyJXKPTYCZQJLRMH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.18
Rot. Bonds5

About 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 107737252) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID107737252
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCN(C(=O)NCC1(CC(=O)O)CCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O4/c1-17(11-4-2-5-12(18)8-11)14(21)16-10-15(6-3-7-15)9-13(19)20/h2,4-5,8,18H,3,6-7,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyJXKPTYCZQJLRMH-UHFFFAOYSA-N
XLogP2.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
6-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107737234
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
2-[1-[[[methyl(2-methylsulfanylethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 115986459

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid (CID 107737252) is 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid is CN(C(=O)NCC1(CC(=O)O)CCC1)c1cccc(O)c1.
What is the InChIKey of 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is JXKPTYCZQJLRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(11-4-2-5-12(18)8-11)14(21)16-10-15(6-3-7-15)9-13(19)20/h2,4-5,8,18H,3,6-7,9-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 107737252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).