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

C12H18BrN2O+ — CID 8643350

IUPAC[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/p+1/t8-,11+/m1/s1
InChIKeyAIZDODCAHHUJLQ-KCJUWKMLSA-O
MW286.19 g/mol
LogP1.34
Rot. Bonds5

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

[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium (PubChem CID 8643350) has the molecular formula C12H18BrN2O+ and a molecular weight of 286.19 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
PubChem CID8643350
Molecular FormulaC12H18BrN2O+
Molecular Weight286.19 g/mol
Exact Mass285.06
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/p+1/t8-,11+/m1/s1
InChIKeyAIZDODCAHHUJLQ-KCJUWKMLSA-O
XLogP1.34
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8643319
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8643637
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
[(1S)-1-(4-bromophenyl)propyl]-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8643558
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8646266
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
CID 149334203

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium (CID 8643350) is [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium is CC[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(Br)cc1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium?
The InChIKey is AIZDODCAHHUJLQ-KCJUWKMLSA-O. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(15-8(2)12(14)16)9-4-6-10(13)7-5-9/h4-8,11,15H,3H2,1-2H3,(H2,14,16)/p+1/t8-,11+/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium?
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium has a molecular weight of 286.19 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium is sourced from PubChem (CID 8643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).