[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate

C16H24N2O4 — CID 101224558

IUPAC[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate
SMILESNC(=O)CCC(=O)OCc1ccc(CNC2CCCCC2)o1
InChIInChI=1S/C16H24N2O4/c17-15(19)8-9-16(20)21-11-14-7-6-13(22-14)10-18-12-4-2-1-3-5-12/h6-7,12,18H,1-5,8-11H2,(H2,17,19)
InChIKeyZTQPHPINMGFHLK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.01
Rot. Bonds8

About [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate

[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate (PubChem CID 101224558) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate.

Molecular Properties

Compound Name[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate
PubChem CID101224558
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate
SMILESNC(=O)CCC(=O)OCc1ccc(CNC2CCCCC2)o1
InChIInChI=1S/C16H24N2O4/c17-15(19)8-9-16(20)21-11-14-7-6-13(22-14)10-18-12-4-2-1-3-5-12/h6-7,12,18H,1-5,8-11H2,(H2,17,19)
InChIKeyZTQPHPINMGFHLK-UHFFFAOYSA-N
XLogP2.01
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate 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

5-[(cyclohexylamino)methyl]furan-2-carboxamide
CID 115672619
ethyl 4-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoate
CID 4722636
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
ethyl 4-[5-[(cycloheptylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331161
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
CID 106886992
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968

Frequently Asked Questions

What is the IUPAC name of [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate?
The IUPAC name of [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate (CID 101224558) is [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate.
What is the SMILES notation for [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate?
The canonical SMILES for [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate is NC(=O)CCC(=O)OCc1ccc(CNC2CCCCC2)o1.
What is the InChIKey of [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate?
The InChIKey is ZTQPHPINMGFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c17-15(19)8-9-16(20)21-11-14-7-6-13(22-14)10-18-12-4-2-1-3-5-12/h6-7,12,18H,1-5,8-11H2,(H2,17,19).
What are the key properties of [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate?
[5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate has a molecular weight of 308.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(cyclohexylamino)methyl]furan-2-yl]methyl 4-amino-4-oxobutanoate is sourced from PubChem (CID 101224558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).