[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate

C15H17BrN2O4 — CID 46789755

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H17BrN2O4/c1-9(14(20)18-12-6-7-12)22-13(19)8-17-15(21)10-2-4-11(16)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyCHTLLCLXYFJRGA-UHFFFAOYSA-N
MW369.22 g/mol
LogP1.39
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 46789755) has the molecular formula C15H17BrN2O4 and a molecular weight of 369.22 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID46789755
Molecular FormulaC15H17BrN2O4
Molecular Weight369.22 g/mol
Exact Mass368.04
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H17BrN2O4/c1-9(14(20)18-12-6-7-12)22-13(19)8-17-15(21)10-2-4-11(16)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyCHTLLCLXYFJRGA-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574591
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
4-bromo-N-[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 112806843
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 24978733
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882218
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 98604511
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 4856503
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854508

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate (CID 46789755) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is CHTLLCLXYFJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4/c1-9(14(20)18-12-6-7-12)22-13(19)8-17-15(21)10-2-4-11(16)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 369.22 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 46789755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).