tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate

C16H27NO3 — CID 143958785

IUPACtert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
SMILESCc1ccc(C(C)(C)CCNCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H27NO3/c1-12-7-8-13(19-12)16(5,6)9-10-17-11-14(18)20-15(2,3)4/h7-8,17H,9-11H2,1-6H3
InChIKeyRYKGQBGMVSZLTA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.19
Rot. Bonds6

About tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate

tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate (PubChem CID 143958785) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
PubChem CID143958785
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate
SMILESCc1ccc(C(C)(C)CCNCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H27NO3/c1-12-7-8-13(19-12)16(5,6)9-10-17-11-14(18)20-15(2,3)4/h7-8,17H,9-11H2,1-6H3
InChIKeyRYKGQBGMVSZLTA-UHFFFAOYSA-N
XLogP3.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]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

methyl 4-methyl-4-(5-methylfuran-2-yl)pentanoate
CID 14357301
ethyl 2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetate
CID 115257618
4-methyl-4-(5-methylfuran-2-yl)pentanoic acid
CID 14357302
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
2-methyl-1-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]propane-1,2-diamine
CID 115136377
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
CID 103785992
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
tert-butyl 2-(azetidin-3-ylmethylamino)acetate
CID 54262655
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate (CID 143958785) is tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate is Cc1ccc(C(C)(C)CCNCC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate?
The InChIKey is RYKGQBGMVSZLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-7-8-13(19-12)16(5,6)9-10-17-11-14(18)20-15(2,3)4/h7-8,17H,9-11H2,1-6H3.
What are the key properties of tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate?
tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate has a molecular weight of 281.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-methyl-3-(5-methylfuran-2-yl)butyl]amino]acetate is sourced from PubChem (CID 143958785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).