[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium

C15H22BrN2O+ — CID 8643319

IUPAC[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
SMILESCC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)/p+1/t10-,14+/m0/s1
InChIKeyUYYKEGXTIKRGMN-IINYFYTJSA-O
MW326.26 g/mol
LogP2.13
Rot. Bonds6

About [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium

[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8643319) has the molecular formula C15H22BrN2O+ and a molecular weight of 326.26 g/mol. Its IUPAC name is [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
PubChem CID8643319
Molecular FormulaC15H22BrN2O+
Molecular Weight326.26 g/mol
Exact Mass325.09
IUPAC Name[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
SMILESCC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)/p+1/t10-,14+/m0/s1
InChIKeyUYYKEGXTIKRGMN-IINYFYTJSA-O
XLogP2.13
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8643637
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 8643350
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646200
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
CID 91050343
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 9129610
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium (CID 8643319) is [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium is CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is UYYKEGXTIKRGMN-IINYFYTJSA-O. The full InChI is InChI=1S/C15H21BrN2O/c1-3-14(11-4-6-12(16)7-5-11)17-10(2)15(19)18-13-8-9-13/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)/p+1/t10-,14+/m0/s1.
What are the key properties of [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 326.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8643319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).