[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid

C11H22N2O2 — CID 67070328

IUPAC[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyPMCPBDUISCHJBJ-DTWKUNHWSA-N
MW214.31 g/mol
LogP2.03
Rot. Bonds1

About [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid

[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid (PubChem CID 67070328) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
PubChem CID67070328
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyPMCPBDUISCHJBJ-DTWKUNHWSA-N
XLogP2.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-tert-butylcarbamic acid
CID 67110665
[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
CID 130475601
tert-butyl-[(1R,3R)-3-cyanocyclohexyl]carbamic acid
CID 67278135
amino-(3-aminocyclohexyl)carbamic acid;benzene;chloromethane
CID 174830087
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]carbamic acid
CID 71237521
tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
CID 66868621
tert-butyl-[(1R)-3-oxocyclohexyl]carbamic acid
CID 97170156
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid?
The IUPAC name of [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid (CID 67070328) is [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid?
The InChIKey is PMCPBDUISCHJBJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)13(10(14)15)9-6-4-5-8(12)7-9/h8-9H,4-7,12H2,1-3H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid?
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid has a molecular weight of 214.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67070328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).