1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119504514

IUPAC1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15;/h10,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyRTAOKSGFQBLONA-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.14
Rot. Bonds5

About 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119504514) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119504514
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN1C(C)=O.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15;/h10,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyRTAOKSGFQBLONA-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.14
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

1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
CID 59765360
CID 59765360
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119504514) is 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CCNCCNC(=O)C1CCCN1C(C)=O.Cl.
What is the InChIKey of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RTAOKSGFQBLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15;/h10,12H,3-8H2,1-2H3,(H,13,16);1H.
What are the key properties of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119504514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).