1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid

C11H20N2O3 — CID 64678468

IUPAC1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC(C)(C)N)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)10(15)16)9(14)4-11(2,3)12/h7-8H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyLBTUICHSLKMXOW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds3

About 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 64678468) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID64678468
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC(C)(C)N)CC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)10(15)16)9(14)4-11(2,3)12/h7-8H,4-6,12H2,1-3H3,(H,15,16)
InChIKeyLBTUICHSLKMXOW-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic 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

3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
(3S,4S)-1-(4,4-dimethylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953561
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984219
(3S,4S)-1-(5,5-dimethylhexanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952384
(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 130561860
1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82688261
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63719518
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 64678468) is 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)CC(C)(C)N)CC1C(=O)O.
What is the InChIKey of 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LBTUICHSLKMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-13(6-8(7)10(15)16)9(14)4-11(2,3)12/h7-8H,4-6,12H2,1-3H3,(H,15,16).
What are the key properties of 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64678468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).