N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide

C12H23N3O2 — CID 106345018

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C(N)=O)C(C)C)CCNC1
InChIInChI=1S/C12H23N3O2/c1-4-12(5-6-14-7-12)11(17)15-9(8(2)3)10(13)16/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyMOIGQCFNEIQXJC-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.00
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 106345018) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID106345018
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C(N)=O)C(C)C)CCNC1
InChIInChI=1S/C12H23N3O2/c1-4-12(5-6-14-7-12)11(17)15-9(8(2)3)10(13)16/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyMOIGQCFNEIQXJC-UHFFFAOYSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 114113787
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
CID 63142451
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
3-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55164169
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide (CID 106345018) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NC(C(N)=O)C(C)C)CCNC1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is MOIGQCFNEIQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-12(5-6-14-7-12)11(17)15-9(8(2)3)10(13)16/h8-9,14H,4-7H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106345018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).