3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid

C16H24N2O2 — CID 62861208

IUPAC3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
SMILESCNC(CN(C)CC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-16(15(19)20,14-9-4-3-5-10-14)12-18(2)11-13-7-6-8-13/h3-5,9-10,13,17H,6-8,11-12H2,1-2H3,(H,19,20)
InChIKeyUMAFACFUQGHGHV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds7

About 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid

3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid (PubChem CID 62861208) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
PubChem CID62861208
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
SMILESCNC(CN(C)CC1CCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-16(15(19)20,14-9-4-3-5-10-14)12-18(2)11-13-7-6-8-13/h3-5,9-10,13,17H,6-8,11-12H2,1-2H3,(H,19,20)
InChIKeyUMAFACFUQGHGHV-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid
CID 63632518
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
4-[cyclopropyl(ethyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693715
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
4-[cyclopropyl(propyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693729
2-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)-2-phenylpropanoic acid
CID 106495672
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid (CID 62861208) is 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid is CNC(CN(C)CC1CCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
The InChIKey is UMAFACFUQGHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-16(15(19)20,14-9-4-3-5-10-14)12-18(2)11-13-7-6-8-13/h3-5,9-10,13,17H,6-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid?
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62861208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).