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

C14H20BrN2O3+ — CID 8643637

IUPAC[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
SMILESCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-4-12(10-5-7-11(15)8-6-10)16-9(2)13(18)17-14(19)20-3/h5-9,12,16H,4H2,1-3H3,(H,17,18,19)/p+1/t9-,12-/m1/s1
InChIKeyGZRXXNNPWNRIBI-BXKDBHETSA-O
MW344.23 g/mol
LogP1.73
Rot. Bonds5

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

[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8643637) has the molecular formula C14H20BrN2O3+ and a molecular weight of 344.23 g/mol. Its IUPAC name is [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
PubChem CID8643637
Molecular FormulaC14H20BrN2O3+
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC Name[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
SMILESCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-4-12(10-5-7-11(15)8-6-10)16-9(2)13(18)17-14(19)20-3/h5-9,12,16H,4H2,1-3H3,(H,17,18,19)/p+1/t9-,12-/m1/s1
InChIKeyGZRXXNNPWNRIBI-BXKDBHETSA-O
XLogP1.73
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8643319
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 8643350
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8646266
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8638799
[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8998517
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
CID 8646102
[(1S)-1-(3-chlorophenyl)ethyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8599390
[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9263277
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium (CID 8643637) is [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium is CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is GZRXXNNPWNRIBI-BXKDBHETSA-O. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-12(10-5-7-11(15)8-6-10)16-9(2)13(18)17-14(19)20-3/h5-9,12,16H,4H2,1-3H3,(H,17,18,19)/p+1/t9-,12-/m1/s1.
What are the key properties of [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium?
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 344.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8643637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).