methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate

C15H23NO4 — CID 65117203

IUPACmethyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(O)CCCC(C)C2)o1
InChIInChI=1S/C15H23NO4/c1-11-4-3-7-15(18,8-11)10-16-9-12-5-6-13(20-12)14(17)19-2/h5-6,11,16,18H,3-4,7-10H2,1-2H3
InChIKeyGAVSGRQEUBDHIT-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.10
Rot. Bonds5

About methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate

methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate (PubChem CID 65117203) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
PubChem CID65117203
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(O)CCCC(C)C2)o1
InChIInChI=1S/C15H23NO4/c1-11-4-3-7-15(18,8-11)10-16-9-12-5-6-13(20-12)14(17)19-2/h5-6,11,16,18H,3-4,7-10H2,1-2H3
InChIKeyGAVSGRQEUBDHIT-UHFFFAOYSA-N
XLogP2.10
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-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

1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826
3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 63933922
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103254354
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate (CID 65117203) is methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC2(O)CCCC(C)C2)o1.
What is the InChIKey of methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is GAVSGRQEUBDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-4-3-7-15(18,8-11)10-16-9-12-5-6-13(20-12)14(17)19-2/h5-6,11,16,18H,3-4,7-10H2,1-2H3.
What are the key properties of methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 65117203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).