tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate

C12H22N2O3 — CID 143355257

IUPACtert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NC(N)=O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-9(15)12(14-10(13)16)7-5-4-6-8-12/h4-8H2,1-3H3,(H3,13,14,16)
InChIKeyHMBAYDFWWXXEAR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.70
Rot. Bonds2

About tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate

tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate (PubChem CID 143355257) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
PubChem CID143355257
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(NC(N)=O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-9(15)12(14-10(13)16)7-5-4-6-8-12/h4-8H2,1-3H3,(H3,13,14,16)
InChIKeyHMBAYDFWWXXEAR-UHFFFAOYSA-N
XLogP1.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
CID 52987650
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
tert-butyl 1-aminocyclohexane-1-carboxylate;formic acid
CID 174428649
tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
CID 93046626
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate (CID 143355257) is tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(NC(N)=O)CCCCC1.
What is the InChIKey of tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate?
The InChIKey is HMBAYDFWWXXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-9(15)12(14-10(13)16)7-5-4-6-8-12/h4-8H2,1-3H3,(H3,13,14,16).
What are the key properties of tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate?
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 143355257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).