pyrrolidin-3-ylcarbamic acid;hydrochloride

C5H11ClN2O2 — CID 141142005

IUPACpyrrolidin-3-ylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NC1CCNC1
InChIInChI=1S/C5H10N2O2.ClH/c8-5(9)7-4-1-2-6-3-4;/h4,6-7H,1-3H2,(H,8,9);1H
InChIKeyMGAGMFQGDITVMA-UHFFFAOYSA-N
MW166.61 g/mol
LogP0.04
Rot. Bonds1

About pyrrolidin-3-ylcarbamic acid;hydrochloride

pyrrolidin-3-ylcarbamic acid;hydrochloride (PubChem CID 141142005) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is pyrrolidin-3-ylcarbamic acid;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylcarbamic acid;hydrochloride
PubChem CID141142005
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Namepyrrolidin-3-ylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NC1CCNC1
InChIInChI=1S/C5H10N2O2.ClH/c8-5(9)7-4-1-2-6-3-4;/h4,6-7H,1-3H2,(H,8,9);1H
InChIKeyMGAGMFQGDITVMA-UHFFFAOYSA-N
XLogP0.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylcarbamic acid;hydrochloride?
The IUPAC name of pyrrolidin-3-ylcarbamic acid;hydrochloride (CID 141142005) is pyrrolidin-3-ylcarbamic acid;hydrochloride.
What is the SMILES notation for pyrrolidin-3-ylcarbamic acid;hydrochloride?
The canonical SMILES for pyrrolidin-3-ylcarbamic acid;hydrochloride is Cl.O=C(O)NC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylcarbamic acid;hydrochloride?
The InChIKey is MGAGMFQGDITVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c8-5(9)7-4-1-2-6-3-4;/h4,6-7H,1-3H2,(H,8,9);1H.
What are the key properties of pyrrolidin-3-ylcarbamic acid;hydrochloride?
pyrrolidin-3-ylcarbamic acid;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylcarbamic acid;hydrochloride is sourced from PubChem (CID 141142005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).