4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid

C13H21NO3 — CID 65248066

IUPAC4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)Cc1ccco1
InChIInChI=1S/C13H21NO3/c1-4-14(10-11-6-5-9-17-11)8-7-13(2,3)12(15)16/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyCVAZJHWDANHHTD-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.60
Rot. Bonds7

About 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid

4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 65248066) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
PubChem CID65248066
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)Cc1ccco1
InChIInChI=1S/C13H21NO3/c1-4-14(10-11-6-5-9-17-11)8-7-13(2,3)12(15)16/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyCVAZJHWDANHHTD-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid 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-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
CID 61423754
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
2-ethyl-4-[ethyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 77102101

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid (CID 65248066) is 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid is CCN(CCC(C)(C)C(=O)O)Cc1ccco1.
What is the InChIKey of 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is CVAZJHWDANHHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-14(10-11-6-5-9-17-11)8-7-13(2,3)12(15)16/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid?
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).