2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

C16H22N2O3 — CID 79842019

IUPAC2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCN(C(=O)NC1(CC(=O)O)CCC1)c1cccc(C)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(13-7-4-6-12(2)10-13)15(21)17-16(8-5-9-16)11-14(19)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFXQYDLDCBQYKMV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842019) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842019
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCN(C(=O)NC1(CC(=O)O)CCC1)c1cccc(C)c1
InChIInChI=1S/C16H22N2O3/c1-3-18(13-7-4-6-12(2)10-13)15(21)17-16(8-5-9-16)11-14(19)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFXQYDLDCBQYKMV-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
4-[[ethyl-(3-methylphenyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62049262
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79842019) is 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is CCN(C(=O)NC1(CC(=O)O)CCC1)c1cccc(C)c1.
What is the InChIKey of 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is FXQYDLDCBQYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(13-7-4-6-12(2)10-13)15(21)17-16(8-5-9-16)11-14(19)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).