[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride

C5H11ClN2O2 — CID 67938211

IUPAC[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
SMILESCl.NC(=O)O[C@@H]1CCNC1
InChIInChI=1S/C5H10N2O2.ClH/c6-5(8)9-4-1-2-7-3-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m1./s1
InChIKeyPFXNVVITKQXZQE-PGMHMLKASA-N
MW166.61 g/mol
LogP-0.13
Rot. Bonds1

About [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride

[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride (PubChem CID 67938211) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
PubChem CID67938211
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
SMILESCl.NC(=O)O[C@@H]1CCNC1
InChIInChI=1S/C5H10N2O2.ClH/c6-5(8)9-4-1-2-7-3-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m1./s1
InChIKeyPFXNVVITKQXZQE-PGMHMLKASA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
[(3S)-pyrrolidin-3-yl] (3S)-pyrrolidine-3-carboxylate
CID 140571611
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
2-pyrrolidin-3-yloxypropanamide
CID 62327738
pyrrolidin-3-yl propanoate
CID 53409832
pyrrolidin-3-yl N,N-dimethylcarbamate
CID 54025595
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
(4-aminocyclohexyl) carbamate;hydrochloride
CID 174943880
(2-oxopiperidin-4-yl) carbamate
CID 155270724

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride?
The IUPAC name of [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride (CID 67938211) is [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride is Cl.NC(=O)O[C@@H]1CCNC1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride?
The InChIKey is PFXNVVITKQXZQE-PGMHMLKASA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c6-5(8)9-4-1-2-7-3-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m1./s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride?
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] carbamate;hydrochloride is sourced from PubChem (CID 67938211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).