2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid

C22H33N3O3 — CID 122025313

IUPAC2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)C2CCCC2c2ccc(C)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-4-25(14-21(26)27)18-12-17(13-18)23-22(28)24(3)20-7-5-6-19(20)16-10-8-15(2)9-11-16/h8-11,17-20H,4-7,12-14H2,1-3H3,(H,23,28)(H,26,27)
InChIKeyLCKCYTZTTCAYPJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.21
Rot. Bonds7

About 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122025313) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122025313
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)C2CCCC2c2ccc(C)cc2)C1
InChIInChI=1S/C22H33N3O3/c1-4-25(14-21(26)27)18-12-17(13-18)23-22(28)24(3)20-7-5-6-19(20)16-10-8-15(2)9-11-16/h8-11,17-20H,4-7,12-14H2,1-3H3,(H,23,28)(H,26,27)
InChIKeyLCKCYTZTTCAYPJ-UHFFFAOYSA-N
XLogP3.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026101
2-[ethyl-[3-[2-(4-methylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122002549
2-[[3-[(4-cyclohexylphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122015243
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026564
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122015286
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[ethyl-[3-[[1-(3-fluorophenyl)propan-2-yl-methylcarbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026375
2-[[3-[[(2,2-diethyl-3-methoxycyclobutyl)-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026166
2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025635

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid (CID 122025313) is 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(C)C2CCCC2c2ccc(C)cc2)C1.
What is the InChIKey of 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is LCKCYTZTTCAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-4-25(14-21(26)27)18-12-17(13-18)23-22(28)24(3)20-7-5-6-19(20)16-10-8-15(2)9-11-16/h8-11,17-20H,4-7,12-14H2,1-3H3,(H,23,28)(H,26,27).
What are the key properties of 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 387.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[methyl-[2-(4-methylphenyl)cyclopentyl]carbamoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122025313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).