2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid

C21H25FN2O3 — CID 122041724

IUPAC2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C21H25FN2O3/c22-16-5-3-15(4-6-16)20-8-7-19(27-20)11-23-17-9-18(10-17)24(13-21(25)26)12-14-1-2-14/h3-8,14,17-18,23H,1-2,9-13H2,(H,25,26)
InChIKeyLWWQMNRLNIPSMV-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.50
Rot. Bonds9

About 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041724) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041724
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C21H25FN2O3/c22-16-5-3-15(4-6-16)20-8-7-19(27-20)11-23-17-9-18(10-17)24(13-21(25)26)12-14-1-2-14/h3-8,14,17-18,23H,1-2,9-13H2,(H,25,26)
InChIKeyLWWQMNRLNIPSMV-UHFFFAOYSA-N
XLogP3.50
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(5-phenylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042320
2-[cyclopropylmethyl-[3-[[5-(2-nitrophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041318
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128999116
2-[ethyl-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042240
2-[ethyl-[3-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042528
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071751
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid (CID 122041724) is 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NCc2ccc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is LWWQMNRLNIPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-16-5-3-15(4-6-16)20-8-7-19(27-20)11-23-17-9-18(10-17)24(13-21(25)26)12-14-1-2-14/h3-8,14,17-18,23H,1-2,9-13H2,(H,25,26).
What are the key properties of 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 372.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).