[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid

C12H23NO3 — CID 68743184

IUPAC[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CCC(CO)CC1)NC(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,13-11(15)16)7-9-3-5-10(8-14)6-4-9/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyKSNDMVVGHYFDRW-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.22
Rot. Bonds4

About [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid

[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 68743184) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
PubChem CID68743184
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CCC(CO)CC1)NC(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,13-11(15)16)7-9-3-5-10(8-14)6-4-9/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyKSNDMVVGHYFDRW-UHFFFAOYSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(Hydroxymethyl)-4-(trifluoromethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
CID 175577929
tert-butyl N-[1-(2-hydroxyethyl)cyclohexyl]carbamate
CID 18414303
2-[4-(Hydroxymethyl)cyclohexyl]ethylcarbamic acid
CID 22236327
[1-(Hydroxymethyl)cyclohexyl]carbamic acid
CID 23143776
tert-butyl N-[2-[4-(hydroxymethyl)cyclohexyl]propan-2-yl]carbamate
CID 23395976
butyl N-[1-(hydroxymethyl)cyclohexyl]carbamate
CID 54039639
[1-Tert-butyl-4-(hydroxymethyl)cyclohexyl]carbamic acid
CID 66699897
[1-[4-(Hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid
CID 66911218
[(2R)-2-cyclohexyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
CID 67123382
[(1R,3R)-1-tert-butyl-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67123403
[1-[1-(Hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
CID 69708119
[2-(4-Hydroxycyclohexyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 89964641

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid (CID 68743184) is [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid is CC(C)(CC1CCC(CO)CC1)NC(=O)O.
What is the InChIKey of [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is KSNDMVVGHYFDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,13-11(15)16)7-9-3-5-10(8-14)6-4-9/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid?
[1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68743184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).