[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate

C17H25N3O6 — CID 2470214

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C17H25N3O6/c1-10(2)13(19-14(22)11-7-6-8-25-11)15(23)26-9-12(21)18-16(24)20-17(3,4)5/h6-8,10,13H,9H2,1-5H3,(H,19,22)(H2,18,20,21,24)/t13-/m1/s1
InChIKeyIKRMVJQFMVJZIH-CYBMUJFWSA-N
MW367.40 g/mol
LogP1.20
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 2470214) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID2470214
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C17H25N3O6/c1-10(2)13(19-14(22)11-7-6-8-25-11)15(23)26-9-12(21)18-16(24)20-17(3,4)5/h6-8,10,13H,9H2,1-5H3,(H,19,22)(H2,18,20,21,24)/t13-/m1/s1
InChIKeyIKRMVJQFMVJZIH-CYBMUJFWSA-N
XLogP1.20
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate 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-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566578
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 55315761
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566376
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
[2-(2,6-dichloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575621
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 2448157
[2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575628
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566168
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565992
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566447

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 2470214) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate is CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is IKRMVJQFMVJZIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-10(2)13(19-14(22)11-7-6-8-25-11)15(23)26-9-12(21)18-16(24)20-17(3,4)5/h6-8,10,13H,9H2,1-5H3,(H,19,22)(H2,18,20,21,24)/t13-/m1/s1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 367.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 2470214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).