methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate

C13H21NO5 — CID 114210879

IUPACmethyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate
SMILESCOCCC(CO)NC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H21NO5/c1-9(14-10(8-15)6-7-17-2)11-4-5-12(19-11)13(16)18-3/h4-5,9-10,14-15H,6-8H2,1-3H3
InChIKeyUDAJDRSFCOVYDL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.11
Rot. Bonds8

About methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate (PubChem CID 114210879) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate
PubChem CID114210879
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate
SMILESCOCCC(CO)NC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H21NO5/c1-9(14-10(8-15)6-7-17-2)11-4-5-12(19-11)13(16)18-3/h4-5,9-10,14-15H,6-8H2,1-3H3
InChIKeyUDAJDRSFCOVYDL-UHFFFAOYSA-N
XLogP1.11
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-(1-hydroxypentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103267752
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
CID 103260078
methyl 5-[1-[1-(furan-2-yl)ethylamino]ethyl]furan-2-carboxylate
CID 103616123
methyl 5-[1-(pent-1-yn-3-ylamino)ethyl]furan-2-carboxylate
CID 106231812
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate (CID 114210879) is methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate is COCCC(CO)NC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate?
The InChIKey is UDAJDRSFCOVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9(14-10(8-15)6-7-17-2)11-4-5-12(19-11)13(16)18-3/h4-5,9-10,14-15H,6-8H2,1-3H3.
What are the key properties of methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate has a molecular weight of 271.31 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 114210879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).