2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid

C15H20N2O4 — CID 79842234

IUPAC2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
SMILESCOCc1cccc(NC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-11-4-2-5-12(8-11)16-14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAJMAQTJCYJUWAD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.35
Rot. Bonds6

About 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid

2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79842234) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
PubChem CID79842234
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid
SMILESCOCc1cccc(NC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-11-4-2-5-12(8-11)16-14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAJMAQTJCYJUWAD-UHFFFAOYSA-N
XLogP2.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79848221
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 104677669
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid (CID 79842234) is 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid is COCc1cccc(NC(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is AJMAQTJCYJUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-10-11-4-2-5-12(8-11)16-14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid?
2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).