[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

C24H33N2O3+ — CID 8774013

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@@H](C)C(=O)NC2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-18(24(27)25-21-11-7-8-12-21)26(2)16-20-13-14-22(23(15-20)28-3)29-17-19-9-5-4-6-10-19/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3,(H,25,27)/p+1/t18-/m0/s1
InChIKeyYGTSDFSQWUEIEG-SFHVURJKSA-O
MW397.54 g/mol
LogP2.74
Rot. Bonds9

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (PubChem CID 8774013) has the molecular formula C24H33N2O3+ and a molecular weight of 397.54 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
PubChem CID8774013
Molecular FormulaC24H33N2O3+
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@@H](C)C(=O)NC2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H32N2O3/c1-18(24(27)25-21-11-7-8-12-21)26(2)16-20-13-14-22(23(15-20)28-3)29-17-19-9-5-4-6-10-19/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3,(H,25,27)/p+1/t18-/m0/s1
InChIKeyYGTSDFSQWUEIEG-SFHVURJKSA-O
XLogP2.74
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494600
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
1-cyclopentyl-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991294
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924053
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]azanium
CID 9494704
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (CID 8774013) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is COc1cc(C[NH+](C)[C@@H](C)C(=O)NC2CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The InChIKey is YGTSDFSQWUEIEG-SFHVURJKSA-O. The full InChI is InChI=1S/C24H32N2O3/c1-18(24(27)25-21-11-7-8-12-21)26(2)16-20-13-14-22(23(15-20)28-3)29-17-19-9-5-4-6-10-19/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17H2,1-3H3,(H,25,27)/p+1/t18-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium has a molecular weight of 397.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8774013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).