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

C19H27BrN2O2 — CID 122041883

IUPAC2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(CNC1CC(N(CC(=O)O)CC2CC2)C1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-13(15-3-2-4-16(20)7-15)10-21-17-8-18(9-17)22(12-19(23)24)11-14-5-6-14/h2-4,7,13-14,17-18,21H,5-6,8-12H2,1H3,(H,23,24)
InChIKeyUMFFZBBRYCWLCR-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.47
Rot. Bonds9

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

2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122041883) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122041883
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(CNC1CC(N(CC(=O)O)CC2CC2)C1)c1cccc(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-13(15-3-2-4-16(20)7-15)10-21-17-8-18(9-17)22(12-19(23)24)11-14-5-6-14/h2-4,7,13-14,17-18,21H,5-6,8-12H2,1H3,(H,23,24)
InChIKeyUMFFZBBRYCWLCR-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054651
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
2-[cyclopropylmethyl-[3-[2-(3-methylphenyl)ethylamino]cyclobutyl]amino]acetic acid
CID 122041350
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[cyclopropylmethyl-[3-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122041883) is 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is CC(CNC1CC(N(CC(=O)O)CC2CC2)C1)c1cccc(Br)c1.
What is the InChIKey of 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is UMFFZBBRYCWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-13(15-3-2-4-16(20)7-15)10-21-17-8-18(9-17)22(12-19(23)24)11-14-5-6-14/h2-4,7,13-14,17-18,21H,5-6,8-12H2,1H3,(H,23,24).
What are the key properties of 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 395.34 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).