methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate

C20H36N2O4 — CID 5322729

IUPACmethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
SMILESCCC1CCC(C(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)C)CC1
InChIInChI=1S/C20H36N2O4/c1-7-14-8-10-15(11-9-14)18(23)21-16(12(2)3)19(24)22-17(13(4)5)20(25)26-6/h12-17H,7-11H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyWWGKVUGGJAPVET-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.66
Rot. Bonds8

About methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate

methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate (PubChem CID 5322729) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
PubChem CID5322729
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Namemethyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate
SMILESCCC1CCC(C(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)C)CC1
InChIInChI=1S/C20H36N2O4/c1-7-14-8-10-15(11-9-14)18(23)21-16(12(2)3)19(24)22-17(13(4)5)20(25)26-6/h12-17H,7-11H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyWWGKVUGGJAPVET-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate with MolForge

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Related Compounds

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(1S,2R,3S,4R)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
CID 100916154
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
(2R)-2-[[4-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52994215
(2R)-2-[[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52994210
(2S)-2-[[4-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 7096607
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014294
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
methyl 3-methyl-2-[[3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 22422562
methyl (2R)-3-methyl-2-[[(2R)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 92654644
(2R)-2-[[4-[[[(2R)-2-azaniumyl-3-methylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylbutanoate
CID 7096902

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate (CID 5322729) is methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate is CCC1CCC(C(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(C)C)CC1.
What is the InChIKey of methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate?
The InChIKey is WWGKVUGGJAPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-7-14-8-10-15(11-9-14)18(23)21-16(12(2)3)19(24)22-17(13(4)5)20(25)26-6/h12-17H,7-11H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate?
methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate has a molecular weight of 368.52 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-ethylcyclohexanecarbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 5322729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).