methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate

C8H15NO3 — CID 163869499

IUPACmethyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CC[C@@H](CO)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-7-3-2-6(4-7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyPJNYTWMILBGGBT-RNFRBKRXSA-N
MW173.21 g/mol
LogP0.50
Rot. Bonds2

About methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate

methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 163869499) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID163869499
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1CC[C@@H](CO)C1
InChIInChI=1S/C8H15NO3/c1-12-8(11)9-7-3-2-6(4-7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1
InChIKeyPJNYTWMILBGGBT-RNFRBKRXSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate (CID 163869499) is methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate is COC(=O)N[C@@H]1CC[C@@H](CO)C1.
What is the InChIKey of methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is PJNYTWMILBGGBT-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-8(11)9-7-3-2-6(4-7)5-10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7-/m1/s1.
What are the key properties of methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate?
methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 163869499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).