N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide

C12H25N3O — CID 115310482

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)12(3,8-13)14-11(16)10-5-6-15(4)7-10/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyCVJRZNCIZQOCOO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.43
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 115310482) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
PubChem CID115310482
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)12(3,8-13)14-11(16)10-5-6-15(4)7-10/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyCVJRZNCIZQOCOO-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915700
1-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119605429
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide (CID 115310482) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCN(C)C1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is CVJRZNCIZQOCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)12(3,8-13)14-11(16)10-5-6-15(4)7-10/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 115310482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).