methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate

C15H27NO4 — CID 103958175

IUPACmethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)11-7-5-10(6-8-11)13(18)16-9-12(17)14(19)20-4/h10-12,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyJDYLQEBJFTXKBX-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.49
Rot. Bonds4

About methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate

methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate (PubChem CID 103958175) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
PubChem CID103958175
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO4/c1-15(2,3)11-7-5-10(6-8-11)13(18)16-9-12(17)14(19)20-4/h10-12,17H,5-9H2,1-4H3,(H,16,18)
InChIKeyJDYLQEBJFTXKBX-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107214937
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
methyl 2-hydroxy-3-[[(3S)-piperidine-3-carbonyl]amino]propanoate
CID 107222681
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
methyl 3-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxypropanoate
CID 103958143

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate (CID 103958175) is methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate?
The InChIKey is JDYLQEBJFTXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)11-7-5-10(6-8-11)13(18)16-9-12(17)14(19)20-4/h10-12,17H,5-9H2,1-4H3,(H,16,18).
What are the key properties of methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate has a molecular weight of 285.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 103958175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).