[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium

C15H23N2O2+ — CID 8793180

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)[C@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyBYXZOQYUFAWMQJ-LLVKDONJSA-O
MW263.36 g/mol
LogP0.38
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium (PubChem CID 8793180) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
PubChem CID8793180
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)[C@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/p+1/t11-/m1/s1
InChIKeyBYXZOQYUFAWMQJ-LLVKDONJSA-O
XLogP0.38
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9265127
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8798946
(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8925295
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8774013

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium (CID 8793180) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)[C@H](C)C(=O)NC2CC2)cc1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is BYXZOQYUFAWMQJ-LLVKDONJSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 263.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8793180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).