4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate

C12H24N2O4 — CID 142197822

IUPAC4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
SMILESCC(C)(C)OC(N)=O.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.C5H11NO2/c8-6-3-1-5(2-4-6)7(9)10;1-5(2,3)8-4(6)7/h5-6H,1-4,8H2,(H,9,10);1-3H3,(H2,6,7)
InChIKeyLQGCCOTWIIIACV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.47
Rot. Bonds1

About 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate

4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate (PubChem CID 142197822) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate.

Molecular Properties

Compound Name4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
PubChem CID142197822
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
SMILESCC(C)(C)OC(N)=O.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.C5H11NO2/c8-6-3-1-5(2-4-6)7(9)10;1-5(2,3)8-4(6)7/h5-6H,1-4,8H2,(H,9,10);1-3H3,(H2,6,7)
InChIKeyLQGCCOTWIIIACV-UHFFFAOYSA-N
XLogP1.47
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
tert-butyl acetate;cyclopropanamine
CID 174763638
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
CID 174531198

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate?
The IUPAC name of 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate (CID 142197822) is 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate.
What is the SMILES notation for 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate?
The canonical SMILES for 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate is CC(C)(C)OC(N)=O.NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate?
The InChIKey is LQGCCOTWIIIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H11NO2/c8-6-3-1-5(2-4-6)7(9)10;1-5(2,3)8-4(6)7/h5-6H,1-4,8H2,(H,9,10);1-3H3,(H2,6,7).
What are the key properties of 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate?
4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate is sourced from PubChem (CID 142197822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).