methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate

C14H18BrNO4 — CID 94819141

IUPACmethyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
SMILESCCO[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO4/c1-4-20-9(2)13(17)16-12(14(18)19-3)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17)/t9-,12-/m1/s1
InChIKeyXDWIMSFTMLHVSW-BXKDBHETSA-N
MW344.21 g/mol
LogP2.20
Rot. Bonds6

About methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate

methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate (PubChem CID 94819141) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
PubChem CID94819141
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Namemethyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
SMILESCCO[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO4/c1-4-20-9(2)13(17)16-12(14(18)19-3)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17)/t9-,12-/m1/s1
InChIKeyXDWIMSFTMLHVSW-BXKDBHETSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate?
The IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate (CID 94819141) is methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate is CCO[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate?
The InChIKey is XDWIMSFTMLHVSW-BXKDBHETSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-4-20-9(2)13(17)16-12(14(18)19-3)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17)/t9-,12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate?
methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate has a molecular weight of 344.21 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate is sourced from PubChem (CID 94819141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).