2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

C13H25N3O3 — CID 79800918

IUPAC2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-13(2,11(17)18)14-12(19)15(3)9-10-16-7-5-6-8-16/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyRDOPKJVZJLELAZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds6

About 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid

2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (PubChem CID 79800918) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
PubChem CID79800918
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CCN1CCCC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-13(2,11(17)18)14-12(19)15(3)9-10-16-7-5-6-8-16/h4-10H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyRDOPKJVZJLELAZ-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63211201
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63207711
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid (CID 79800918) is 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is CCC(C)(NC(=O)N(C)CCN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is RDOPKJVZJLELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-13(2,11(17)18)14-12(19)15(3)9-10-16-7-5-6-8-16/h4-10H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid?
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79800918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).