cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C17H25NO4 — CID 51491143

IUPACcyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC1CCCCC1
InChIInChI=1S/C17H25NO4/c1-12(2)15(18-16(19)14-9-6-10-21-14)17(20)22-11-13-7-4-3-5-8-13/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyIEUMMPXIGXGGPY-HNNXBMFYSA-N
MW307.39 g/mol
LogP3.16
Rot. Bonds6

About cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 51491143) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Namecyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID51491143
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namecyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC1CCCCC1
InChIInChI=1S/C17H25NO4/c1-12(2)15(18-16(19)14-9-6-10-21-14)17(20)22-11-13-7-4-3-5-8-13/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyIEUMMPXIGXGGPY-HNNXBMFYSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566376
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566447
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575863
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575600
N-[(2S)-1-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 95781275
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55926331
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
N-[(2S)-1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52506923

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 51491143) is cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is IEUMMPXIGXGGPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)15(18-16(19)14-9-6-10-21-14)17(20)22-11-13-7-4-3-5-8-13/h6,9-10,12-13,15H,3-5,7-8,11H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 307.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 51491143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).