N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride

C13H18ClN3O2 — CID 90489047

IUPACN-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2.ClH/c14-6-7-15-13(18)10-8-12(17)16(9-10)11-4-2-1-3-5-11;/h1-5,10H,6-9,14H2,(H,15,18);1H
InChIKeyXIXLOBDMNKATRY-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.54
Rot. Bonds4

About N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 90489047) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID90489047
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2.ClH/c14-6-7-15-13(18)10-8-12(17)16(9-10)11-4-2-1-3-5-11;/h1-5,10H,6-9,14H2,(H,15,18);1H
InChIKeyXIXLOBDMNKATRY-UHFFFAOYSA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride (CID 90489047) is N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XIXLOBDMNKATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c14-6-7-15-13(18)10-8-12(17)16(9-10)11-4-2-1-3-5-11;/h1-5,10H,6-9,14H2,(H,15,18);1H.
What are the key properties of N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 90489047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).