N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide

C13H25N3O2 — CID 113266401

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9(10(17)16-12(2,3)4)15-11(18)13(5)6-7-14-8-13/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyWIVLABOAHHDXQX-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 113266401) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
PubChem CID113266401
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C)CCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9(10(17)16-12(2,3)4)15-11(18)13(5)6-7-14-8-13/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyWIVLABOAHHDXQX-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
(2R)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 113353123
(2S)-3,3-dimethyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63141735
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-3-carboxamide
CID 112701745
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
CID 81388379
methyl 2-methyl-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 63139390

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide (CID 113266401) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1(C)CCNC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is WIVLABOAHHDXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(10(17)16-12(2,3)4)15-11(18)13(5)6-7-14-8-13/h9,14H,6-8H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).