2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C17H23BrN2O2 — CID 122041638

IUPAC2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O2/c18-14-5-3-12(4-6-14)9-19-15-7-16(8-15)20(11-17(21)22)10-13-1-2-13/h3-6,13,15-16,19H,1-2,7-11H2,(H,21,22)
InChIKeyJGQNYJYCDSAFGC-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.87
Rot. Bonds8

About 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122041638) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122041638
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O2/c18-14-5-3-12(4-6-14)9-19-15-7-16(8-15)20(11-17(21)22)10-13-1-2-13/h3-6,13,15-16,19H,1-2,7-11H2,(H,21,22)
InChIKeyJGQNYJYCDSAFGC-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

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-[(2-methylquinolin-6-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041663
2-[[3-[(4-chloro-3-nitrophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041557
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-[[3-[[4-(cyclopropylmethoxy)phenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042425
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041410
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122041638) is 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NCc2ccc(Br)cc2)C1.
What is the InChIKey of 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is JGQNYJYCDSAFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c18-14-5-3-12(4-6-14)9-19-15-7-16(8-15)20(11-17(21)22)10-13-1-2-13/h3-6,13,15-16,19H,1-2,7-11H2,(H,21,22).
What are the key properties of 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 367.29 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122041638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).