[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

C15H18BrNO3 — CID 9342663

IUPAC[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H18BrNO3/c1-10(12-4-5-12)17-14(18)9-20-15(19)8-11-2-6-13(16)7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyFGSYAHWJWBQUTC-JTQLQIEISA-N
MW340.22 g/mol
LogP2.45
Rot. Bonds6

About [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 9342663) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID9342663
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H18BrNO3/c1-10(12-4-5-12)17-14(18)9-20-15(19)8-11-2-6-13(16)7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyFGSYAHWJWBQUTC-JTQLQIEISA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011202
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7758916
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)acetate
CID 9342541
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
CID 2378757
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342634
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 8764018

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 9342663) is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is C[C@H](NC(=O)COC(=O)Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is FGSYAHWJWBQUTC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-10(12-4-5-12)17-14(18)9-20-15(19)8-11-2-6-13(16)7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 340.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 9342663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).