tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid

C14H27NO4 — CID 22106849

IUPACtert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
SMILESCC(C)(C)OC(N)=O.CC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H16O2.C5H11NO2/c1-7-2-4-8(5-3-7)6-9(10)11;1-5(2,3)8-4(6)7/h7-8H,2-6H2,1H3,(H,10,11);1-3H3,(H2,6,7)
InChIKeyULJZFNJNAKQMIE-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid

tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid (PubChem CID 22106849) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Nametert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
PubChem CID22106849
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
SMILESCC(C)(C)OC(N)=O.CC1CCC(CC(=O)O)CC1
InChIInChI=1S/C9H16O2.C5H11NO2/c1-7-2-4-8(5-3-7)6-9(10)11;1-5(2,3)8-4(6)7/h7-8H,2-6H2,1H3,(H,10,11);1-3H3,(H2,6,7)
InChIKeyULJZFNJNAKQMIE-UHFFFAOYSA-N
XLogP3.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
CID 22106764
tert-butyl carbamate;methylcyclohexane
CID 143641656
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
tert-butyl carbamate;(4-propylcyclohexyl)methanol
CID 174436433
methylcyclohexane;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 142873744
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 169091321
2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]acetic acid
CID 86722948
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid?
The IUPAC name of tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid (CID 22106849) is tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid.
What is the SMILES notation for tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid?
The canonical SMILES for tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid is CC(C)(C)OC(N)=O.CC1CCC(CC(=O)O)CC1.
What is the InChIKey of tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid?
The InChIKey is ULJZFNJNAKQMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C5H11NO2/c1-7-2-4-8(5-3-7)6-9(10)11;1-5(2,3)8-4(6)7/h7-8H,2-6H2,1H3,(H,10,11);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid?
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid has a molecular weight of 273.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid is sourced from PubChem (CID 22106849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).