tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate

C15H23NO3 — CID 112731385

IUPACtert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
SMILESCC1CC1c1ccc(CNCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H23NO3/c1-10-7-12(10)13-6-5-11(18-13)8-16-9-14(17)19-15(2,3)4/h5-6,10,12,16H,7-9H2,1-4H3
InChIKeyGPIJLJZHRPPGID-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate

tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate (PubChem CID 112731385) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
PubChem CID112731385
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
SMILESCC1CC1c1ccc(CNCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H23NO3/c1-10-7-12(10)13-6-5-11(18-13)8-16-9-14(17)19-15(2,3)4/h5-6,10,12,16H,7-9H2,1-4H3
InChIKeyGPIJLJZHRPPGID-UHFFFAOYSA-N
XLogP2.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate 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

2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
CID 103748609
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
CID 63932456
2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129140
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 104625246
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
CID 113230760
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate?
The IUPAC name of tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate (CID 112731385) is tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate is CC1CC1c1ccc(CNCC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate?
The InChIKey is GPIJLJZHRPPGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-12(10)13-6-5-11(18-13)8-16-9-14(17)19-15(2,3)4/h5-6,10,12,16H,7-9H2,1-4H3.
What are the key properties of tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate?
tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate is sourced from PubChem (CID 112731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).