methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride

C13H21ClN2O4 — CID 119293502

IUPACmethyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCCCC(N)C(=O)NCc1cc(C(=O)OC)c(C)o1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-4-5-11(14)12(16)15-7-9-6-10(8(2)19-9)13(17)18-3;/h6,11H,4-5,7,14H2,1-3H3,(H,15,16);1H
InChIKeyRZGJEGUCHVUUQK-UHFFFAOYSA-N
MW304.77 g/mol
LogP1.54
Rot. Bonds6

About methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride

methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride (PubChem CID 119293502) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride
PubChem CID119293502
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Namemethyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCCCC(N)C(=O)NCc1cc(C(=O)OC)c(C)o1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-4-5-11(14)12(16)15-7-9-6-10(8(2)19-9)13(17)18-3;/h6,11H,4-5,7,14H2,1-3H3,(H,15,16);1H
InChIKeyRZGJEGUCHVUUQK-UHFFFAOYSA-N
XLogP1.54
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 2-methyl-5-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 111124962
methyl 5-[[(N-hexyl-N'-methylcarbamimidoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111161123
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948
ethyl 4-[N-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163298
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride (CID 119293502) is methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride is CCCC(N)C(=O)NCc1cc(C(=O)OC)c(C)o1.Cl.
What is the InChIKey of methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The InChIKey is RZGJEGUCHVUUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-4-5-11(14)12(16)15-7-9-6-10(8(2)19-9)13(17)18-3;/h6,11H,4-5,7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride?
methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 119293502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).