2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C14H25NO4 — CID 64748111

IUPAC2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC1CCC(C(NC(=O)OC(C)(C)C)C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-9-5-7-10(8-6-9)11(12(16)17)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMUOXYNIOJBUOCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds3

About 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 64748111) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID64748111
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC1CCC(C(NC(=O)OC(C)(C)C)C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-9-5-7-10(8-6-9)11(12(16)17)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyMUOXYNIOJBUOCL-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 4420316
(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid
CID 736918
1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid
CID 2794744
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid
CID 10588189
(1S,2R)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
CID 1512489
(1S,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
CID 2755995
Boc-DL-Cha-OH
CID 2817530
2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
CID 3559319
(1S,2S)-Boc-Achc
CID 6987990
(2R)-2-(((tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
CID 7014890
(1R,2R)-2-((Tert-butoxycarbonyl)amino)cyclohexane-1-carboxylic acid
CID 1512488
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid
CID 2755927

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 64748111) is 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC1CCC(C(NC(=O)OC(C)(C)C)C(=O)O)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is MUOXYNIOJBUOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-5-7-10(8-6-9)11(12(16)17)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 64748111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).