[(1R,3R)-3-hydroxycycloheptyl]carbamic acid

C8H15NO3 — CID 89396193

IUPAC[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@@H](O)C1
InChIInChI=1S/C8H15NO3/c10-7-4-2-1-3-6(5-7)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyWULCYCCLYVFRTQ-RNFRBKRXSA-N
MW173.21 g/mol
LogP0.95
Rot. Bonds1

About [(1R,3R)-3-hydroxycycloheptyl]carbamic acid

[(1R,3R)-3-hydroxycycloheptyl]carbamic acid (PubChem CID 89396193) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(1R,3R)-3-hydroxycycloheptyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
PubChem CID89396193
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@@H](O)C1
InChIInChI=1S/C8H15NO3/c10-7-4-2-1-3-6(5-7)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyWULCYCCLYVFRTQ-RNFRBKRXSA-N
XLogP0.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
cyclohexylcarbamic acid;hydrate
CID 172719994
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
2-[(3-hydroxycyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978293
(3-methylcyclohexyl)carbamic acid
CID 67410451
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
1-ethyl-3-(3-hydroxycyclohexyl)urea
CID 103618902
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-hydroxycycloheptyl]carbamic acid?
The IUPAC name of [(1R,3R)-3-hydroxycycloheptyl]carbamic acid (CID 89396193) is [(1R,3R)-3-hydroxycycloheptyl]carbamic acid.
What is the SMILES notation for [(1R,3R)-3-hydroxycycloheptyl]carbamic acid?
The canonical SMILES for [(1R,3R)-3-hydroxycycloheptyl]carbamic acid is O=C(O)N[C@@H]1CCCC[C@@H](O)C1.
What is the InChIKey of [(1R,3R)-3-hydroxycycloheptyl]carbamic acid?
The InChIKey is WULCYCCLYVFRTQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c10-7-4-2-1-3-6(5-7)9-8(11)12/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of [(1R,3R)-3-hydroxycycloheptyl]carbamic acid?
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-hydroxycycloheptyl]carbamic acid is sourced from PubChem (CID 89396193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).