cyclopentylcarbamic acid

C6H11NO2 — CID 19043578

IUPACcyclopentylcarbamic acid
SMILESO=C(O)NC1CCCC1
InChIInChI=1S/C6H11NO2/c8-6(9)7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyLSDCYFAPMIICFY-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.20
Rot. Bonds1

About cyclopentylcarbamic acid

cyclopentylcarbamic acid (PubChem CID 19043578) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cyclopentylcarbamic acid.

Molecular Properties

Compound Namecyclopentylcarbamic acid
PubChem CID19043578
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecyclopentylcarbamic acid
SMILESO=C(O)NC1CCCC1
InChIInChI=1S/C6H11NO2/c8-6(9)7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyLSDCYFAPMIICFY-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentylcarbamic acid?
The IUPAC name of cyclopentylcarbamic acid (CID 19043578) is cyclopentylcarbamic acid.
What is the SMILES notation for cyclopentylcarbamic acid?
The canonical SMILES for cyclopentylcarbamic acid is O=C(O)NC1CCCC1.
What is the InChIKey of cyclopentylcarbamic acid?
The InChIKey is LSDCYFAPMIICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of cyclopentylcarbamic acid?
cyclopentylcarbamic acid has a molecular weight of 129.16 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylcarbamic acid is sourced from PubChem (CID 19043578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).