methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C17H22N2O4 — CID 8920722

IUPACmethyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccco2)c1C
InChIInChI=1S/C17H22N2O4/c1-9-14(17(21)22-5)11(3)19-15(9)16(20)12(4)18-10(2)13-7-6-8-23-13/h6-8,10,12,18-19H,1-5H3/t10-,12+/m0/s1
InChIKeyLNCLZGRDJALYBZ-CMPLNLGQSA-N
MW318.37 g/mol
LogP2.93
Rot. Bonds6

About methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 8920722) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID8920722
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccco2)c1C
InChIInChI=1S/C17H22N2O4/c1-9-14(17(21)22-5)11(3)19-15(9)16(20)12(4)18-10(2)13-7-6-8-23-13/h6-8,10,12,18-19H,1-5H3/t10-,12+/m0/s1
InChIKeyLNCLZGRDJALYBZ-CMPLNLGQSA-N
XLogP2.93
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(2R)-2-[2-(furan-2-carbonylamino)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7880040
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylphenyl)ethylamino]propan-1-one
CID 18097377
methyl 5-[(2R)-2-[(2S)-2-benzamidopropanoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7571973
4-O-[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506521
methyl 2,4-dimethyl-5-[(2S)-2-methylsulfonylpropanoyl]-1H-pyrrole-3-carboxylate
CID 94199261
methyl 3,5-dimethyl-4-[2-(propan-2-ylamino)propanoyl]-1H-pyrrole-2-carboxylate
CID 42666634
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 5-[(2R)-2-(benzhydrylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7971122
methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 51575049
methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16526889
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755533

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 8920722) is methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccco2)c1C.
What is the InChIKey of methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is LNCLZGRDJALYBZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-9-14(17(21)22-5)11(3)19-15(9)16(20)12(4)18-10(2)13-7-6-8-23-13/h6-8,10,12,18-19H,1-5H3/t10-,12+/m0/s1.
What are the key properties of methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 8920722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).