methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate

C17H19NO5 — CID 19788710

IUPACmethyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
SMILESCOC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1
InChIInChI=1S/C17H19NO5/c1-21-16(19)12-8-6-11(7-9-12)4-3-5-13-10-23-15(18)14(13)17(20)22-2/h6-10H,3-5,18H2,1-2H3
InChIKeyLMFXQMRXXRQCOZ-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.61
Rot. Bonds6

About methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate

methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate (PubChem CID 19788710) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
PubChem CID19788710
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namemethyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate
SMILESCOC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1
InChIInChI=1S/C17H19NO5/c1-21-16(19)12-8-6-11(7-9-12)4-3-5-13-10-23-15(18)14(13)17(20)22-2/h6-10H,3-5,18H2,1-2H3
InChIKeyLMFXQMRXXRQCOZ-UHFFFAOYSA-N
XLogP2.61
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-[3-(4-ethoxycarbonylphenyl)propyl]furan-3-carboxylate
CID 19788703
4-[2-(5-amino-4-methoxycarbonylfuran-3-yl)ethyl]benzoic acid
CID 67881333
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
ethyl 2-amino-4-[2-(4-ethoxycarbonylphenyl)ethyl]furan-3-carboxylate
CID 19788701
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-[3-(2-ethyl-5-hydroxyphenyl)propyl]benzoate
CID 67764675
methyl 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate
CID 18984529
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
methyl 4-hex-5-enylbenzoate
CID 15527474
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate?
The IUPAC name of methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate (CID 19788710) is methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate is COC(=O)c1ccc(CCCc2coc(N)c2C(=O)OC)cc1.
What is the InChIKey of methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate?
The InChIKey is LMFXQMRXXRQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-21-16(19)12-8-6-11(7-9-12)4-3-5-13-10-23-15(18)14(13)17(20)22-2/h6-10H,3-5,18H2,1-2H3.
What are the key properties of methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate?
methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[3-(4-methoxycarbonylphenyl)propyl]furan-3-carboxylate is sourced from PubChem (CID 19788710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).