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

C7H15ClN2O2 — CID 118918439

IUPACethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
SMILESCCOC(=O)N[C@@H]1CCNC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)9-6-3-4-8-5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyZSOLVJHDRQWNGM-FYZOBXCZSA-N
MW194.66 g/mol
LogP0.52
Rot. Bonds2

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

ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride (PubChem CID 118918439) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
PubChem CID118918439
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Nameethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
SMILESCCOC(=O)N[C@@H]1CCNC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)9-6-3-4-8-5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyZSOLVJHDRQWNGM-FYZOBXCZSA-N
XLogP0.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
N-pyrrolidin-3-ylpropanamide
CID 18337238
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
ethyl N-(thian-4-yl)carbamate
CID 115599837
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride (CID 118918439) is ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride is CCOC(=O)N[C@@H]1CCNC1.Cl.
What is the InChIKey of ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride?
The InChIKey is ZSOLVJHDRQWNGM-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-2-11-7(10)9-6-3-4-8-5-6;/h6,8H,2-5H2,1H3,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride?
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride is sourced from PubChem (CID 118918439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).