2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid

C20H25FN2O3 — CID 128999116

IUPAC2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)20(7-8-20)19(26)22-16-9-17(10-16)23(12-18(24)25)11-13-1-2-13/h3-6,13,16-17H,1-2,7-12H2,(H,22,26)(H,24,25)
InChIKeyGTULUYLUZKPKFC-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.30
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 128999116) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
PubChem CID128999116
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)20(7-8-20)19(26)22-16-9-17(10-16)23(12-18(24)25)11-13-1-2-13/h3-6,13,16-17H,1-2,7-12H2,(H,22,26)(H,24,25)
InChIKeyGTULUYLUZKPKFC-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128995508
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071751
1-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopropane-1-carboxamide
CID 71926291
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-[cyclopropylmethyl-[3-[(5-fluoro-2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122087851
2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041724
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782
2-[[3-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122071775
2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
CID 129008353
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(7-fluoroisoquinolin-1-yl)amino]cyclobutyl]amino]acetic acid
CID 122061484

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid (CID 128999116) is 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)C2(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is GTULUYLUZKPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)20(7-8-20)19(26)22-16-9-17(10-16)23(12-18(24)25)11-13-1-2-13/h3-6,13,16-17H,1-2,7-12H2,(H,22,26)(H,24,25).
What are the key properties of 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 360.43 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 128999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).