methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate

C13H16BrNO2 — CID 116857430

IUPACmethyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
SMILESCOC(=O)C(c1cccc(Br)c1)N(C)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-15(11-6-7-11)12(13(16)17-2)9-4-3-5-10(14)8-9/h3-5,8,11-12H,6-7H2,1-2H3
InChIKeyJYUDIHWDGFWXHD-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate

methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate (PubChem CID 116857430) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
PubChem CID116857430
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Namemethyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate
SMILESCOC(=O)C(c1cccc(Br)c1)N(C)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-15(11-6-7-11)12(13(16)17-2)9-4-3-5-10(14)8-9/h3-5,8,11-12H,6-7H2,1-2H3
InChIKeyJYUDIHWDGFWXHD-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
methyl 3-(3-bromophenyl)-3-hydroxy-2-(hydroxymethyl)propanoate
CID 175574442
CID 172861742
CID 172861742
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
methyl 2-(3-bromophenyl)-2-cyanoacetate
CID 79017218
methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
CID 116857401
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
methyl (2S)-2-(3-bromophenyl)-2-diethoxyphosphorylacetate
CID 99866381
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81381770
2-[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631647

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate (CID 116857430) is methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate is COC(=O)C(c1cccc(Br)c1)N(C)C1CC1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate?
The InChIKey is JYUDIHWDGFWXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-15(11-6-7-11)12(13(16)17-2)9-4-3-5-10(14)8-9/h3-5,8,11-12H,6-7H2,1-2H3.
What are the key properties of methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate?
methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate has a molecular weight of 298.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-[cyclopropyl(methyl)amino]acetate is sourced from PubChem (CID 116857430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).