2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid

C19H26FN3O3 — CID 122015286

IUPAC2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H26FN3O3/c1-2-23(11-18(24)25)17-9-16(10-17)22-19(26)21-15-7-13(8-15)12-3-5-14(20)6-4-12/h3-6,13,15-17H,2,7-11H2,1H3,(H,24,25)(H2,21,22,26)
InChIKeyDFKDLAVJCZOCHG-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.31
Rot. Bonds7

About 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122015286) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122015286
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CC(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H26FN3O3/c1-2-23(11-18(24)25)17-9-16(10-17)22-19(26)21-15-7-13(8-15)12-3-5-14(20)6-4-12/h3-6,13,15-17H,2,7-11H2,1H3,(H,24,25)(H2,21,22,26)
InChIKeyDFKDLAVJCZOCHG-UHFFFAOYSA-N
XLogP2.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[ethyl-[3-[1-(4-fluorophenyl)prop-2-ynylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122026580
2-[ethyl-[3-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091506
2-[ethyl-[1-[[3-(4-fluorophenyl)cyclopentyl]carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012539
2-[ethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128995508
2-[[3-[(4-cyclohexylphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122015243
2-[ethyl-[3-[[3-(3-methoxyphenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122016705
2-[ethyl-[3-[[1-[2-(4-fluorophenyl)propan-2-yl]cyclopropyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026415
2-[ethyl-[3-[(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009201
2-[[3-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122015758
2-[[3-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122009090
2-[ethyl-[3-[(2,3,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094164

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122015286) is 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NC2CC(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is DFKDLAVJCZOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-2-23(11-18(24)25)17-9-16(10-17)22-19(26)21-15-7-13(8-15)12-3-5-14(20)6-4-12/h3-6,13,15-17H,2,7-11H2,1H3,(H,24,25)(H2,21,22,26).
What are the key properties of 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 363.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122015286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).