N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119736624

IUPACN-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNCCCC(=O)N1CCCC1C(=O)NC.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-12-7-3-6-10(15)14-8-4-5-9(14)11(16)13-2;/h9,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyGAXYZXYVMOQHRO-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.14
Rot. Bonds5

About N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride

N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119736624) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119736624
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCNCCCC(=O)N1CCCC1C(=O)NC.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-12-7-3-6-10(15)14-8-4-5-9(14)11(16)13-2;/h9,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyGAXYZXYVMOQHRO-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

N-methyl-1-[1-[4-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 155261104
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(7-aminoheptanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953275
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119751074
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
ethane;5-methylhexan-2-one;(2S)-N-methyl-1-pentanoylpyrrolidine-2-carboxamide
CID 156846202
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
2-[1-[4-(methylamino)butanoyl]pyrrolidin-2-yl]acetic acid
CID 61371159

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119736624) is N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride is CNCCCC(=O)N1CCCC1C(=O)NC.Cl.
What is the InChIKey of N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GAXYZXYVMOQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-12-7-3-6-10(15)14-8-4-5-9(14)11(16)13-2;/h9,12H,3-8H2,1-2H3,(H,13,16);1H.
What are the key properties of N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride?
N-methyl-1-[4-(methylamino)butanoyl]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 N-methyl-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119736624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).