2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid

C11H20N2O3 — CID 79811148

IUPAC2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
SMILESCCC(C)(N)C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13-5-4-8(7-13)6-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyQFBUPWJSMCTOEJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds4

About 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid

2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid (PubChem CID 79811148) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
PubChem CID79811148
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid
SMILESCCC(C)(N)C(=O)N1CCC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13-5-4-8(7-13)6-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyQFBUPWJSMCTOEJ-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64604208
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid
CID 65266708
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 79379381
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
1-[3-(bromomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 80666826
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid (CID 79811148) is 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid is CCC(C)(N)C(=O)N1CCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is QFBUPWJSMCTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13-5-4-8(7-13)6-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid?
2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-methylbutanoyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 79811148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).