[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

C21H29N2O3S+ — CID 8924053

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCC[NH+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1
InChIKeyWNQMEOKKXYNLGJ-OAHLLOKOSA-O
MW389.54 g/mol
LogP2.41
Rot. Bonds10

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (PubChem CID 8924053) has the molecular formula C21H29N2O3S+ and a molecular weight of 389.54 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
PubChem CID8924053
Molecular FormulaC21H29N2O3S+
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCC[NH+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1
InChIKeyWNQMEOKKXYNLGJ-OAHLLOKOSA-O
XLogP2.41
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924086
ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8924090
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
CID 8924044
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8744954
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8774013
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (CID 8924053) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is CC[NH+](Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The InChIKey is WNQMEOKKXYNLGJ-OAHLLOKOSA-O. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium has a molecular weight of 389.54 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 8924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).