2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid

C10H20N2O2 — CID 82238992

IUPAC2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
SMILESCCC(C)(NC1CCN(C)C1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-4-10(2,9(13)14)11-8-5-6-12(3)7-8/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyOJSSQHQOVMULAO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid

2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid (PubChem CID 82238992) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
PubChem CID82238992
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
SMILESCCC(C)(NC1CCN(C)C1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-4-10(2,9(13)14)11-8-5-6-12(3)7-8/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyOJSSQHQOVMULAO-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
CID 114991643
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
CID 61223431
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid (CID 82238992) is 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid is CCC(C)(NC1CCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
The InChIKey is OJSSQHQOVMULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-10(2,9(13)14)11-8-5-6-12(3)7-8/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid?
2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 82238992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).