(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride

C8H17ClN2O2 — CID 165429633

IUPAC(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCNC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-12-5-4-10-8(11)7-2-3-9-6-7;/h7,9H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyNBPXEMOMGMIPGB-FJXQXJEOSA-N
MW208.69 g/mol
LogP-0.22
Rot. Bonds4

About (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride

(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 165429633) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID165429633
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCNC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-12-5-4-10-8(11)7-2-3-9-6-7;/h7,9H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyNBPXEMOMGMIPGB-FJXQXJEOSA-N
XLogP-0.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 165429633) is (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride is COCCNC(=O)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NBPXEMOMGMIPGB-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-12-5-4-10-8(11)7-2-3-9-6-7;/h7,9H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride?
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 165429633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).