tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid

C12H23NO3 — CID 66699956

IUPACtert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid
SMILESCC(C)(C)N(CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyRKEORJYMTRMSOK-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid

tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid (PubChem CID 66699956) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid
PubChem CID66699956
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid
SMILESCC(C)(C)N(CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyRKEORJYMTRMSOK-UHFFFAOYSA-N
XLogP2.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid?
The IUPAC name of tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid (CID 66699956) is tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid?
The canonical SMILES for tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid is CC(C)(C)N(CC1CCC(O)CC1)C(=O)O.
What is the InChIKey of tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid?
The InChIKey is RKEORJYMTRMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)13(11(15)16)8-9-4-6-10(14)7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid?
tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-hydroxycyclohexyl)methyl]carbamic acid is sourced from PubChem (CID 66699956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).