[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium

C17H20ClN2O4+ — CID 8857709

IUPAC[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
SMILESCOC(=O)NC(=O)[C@@H](C)[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O4/c1-11(16(21)19-17(22)23-3)20(2)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21,22)/p+1/t11-/m1/s1
InChIKeyOFKDEDHUJJKVKQ-LLVKDONJSA-O
MW351.81 g/mol
LogP1.89
Rot. Bonds5

About [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium

[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8857709) has the molecular formula C17H20ClN2O4+ and a molecular weight of 351.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
PubChem CID8857709
Molecular FormulaC17H20ClN2O4+
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
SMILESCOC(=O)NC(=O)[C@@H](C)[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O4/c1-11(16(21)19-17(22)23-3)20(2)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21,22)/p+1/t11-/m1/s1
InChIKeyOFKDEDHUJJKVKQ-LLVKDONJSA-O
XLogP1.89
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium with MolForge

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Related Compounds

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium
CID 8596617
[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720910
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9435482
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 9435452
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8637164
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
CID 9435416
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide
CID 54858994
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium (CID 8857709) is [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium is COC(=O)NC(=O)[C@@H](C)[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is OFKDEDHUJJKVKQ-LLVKDONJSA-O. The full InChI is InChI=1S/C17H19ClN2O4/c1-11(16(21)19-17(22)23-3)20(2)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H,19,21,22)/p+1/t11-/m1/s1.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium?
[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 351.81 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8857709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).