[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate

C15H18BrNO4 — CID 7754794

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H18BrNO4/c1-9(14(18)17-12-5-6-12)21-15(19)10(2)20-13-7-3-11(16)4-8-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyNMPDYBKLEGLAHB-NXEZZACHSA-N
MW356.22 g/mol
LogP2.43
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate (PubChem CID 7754794) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
PubChem CID7754794
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H18BrNO4/c1-9(14(18)17-12-5-6-12)21-15(19)10(2)20-13-7-3-11(16)4-8-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyNMPDYBKLEGLAHB-NXEZZACHSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate (CID 7754794) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate is C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate?
The InChIKey is NMPDYBKLEGLAHB-NXEZZACHSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-9(14(18)17-12-5-6-12)21-15(19)10(2)20-13-7-3-11(16)4-8-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,18)/t9-,10-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate has a molecular weight of 356.22 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate is sourced from PubChem (CID 7754794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).