3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119692049

IUPAC3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-8(2)14-9(15)6-13-10(16)11(3)4-5-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H
InChIKeyMHHGJQBIIVEOSA-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.05
Rot. Bonds4

About 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119692049) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119692049
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)NC(=O)CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-8(2)14-9(15)6-13-10(16)11(3)4-5-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H
InChIKeyMHHGJQBIIVEOSA-UHFFFAOYSA-N
XLogP0.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119755038
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119737579
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63142174
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119692049) is 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride is CC(C)NC(=O)CNC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MHHGJQBIIVEOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-8(2)14-9(15)6-13-10(16)11(3)4-5-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H.
What are the key properties of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).