[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride

C6H13ClN2O2 — CID 139649266

IUPAC[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2.ClH/c7-6(9)10-4-5-2-1-3-8-5;/h5,8H,1-4H2,(H2,7,9);1H/t5-;/m0./s1
InChIKeyUPMREFXBNJZQDW-JEDNCBNOSA-N
MW180.63 g/mol
LogP0.26
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride

[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride (PubChem CID 139649266) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
PubChem CID139649266
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
SMILESCl.NC(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2.ClH/c7-6(9)10-4-5-2-1-3-8-5;/h5,8H,1-4H2,(H2,7,9);1H/t5-;/m0./s1
InChIKeyUPMREFXBNJZQDW-JEDNCBNOSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
cyclopentylmethyl 2-pyrrolidin-2-ylacetate
CID 66323077
tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
CID 175149663

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride (CID 139649266) is [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride is Cl.NC(=O)OC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride?
The InChIKey is UPMREFXBNJZQDW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c7-6(9)10-4-5-2-1-3-8-5;/h5,8H,1-4H2,(H2,7,9);1H/t5-;/m0./s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride?
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride is sourced from PubChem (CID 139649266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).