1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 119257255

IUPAC1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)7-10(17)15-8-11(18)16-6-5-14(4,9-16)12(19)20/h5-9H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyQFQRTGZNPZLFIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds4

About 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257255) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257255
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-13(2,3)7-10(17)15-8-11(18)16-6-5-14(4,9-16)12(19)20/h5-9H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyQFQRTGZNPZLFIH-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-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-methyl-1-[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 120529230
6-[2-(3,3-dimethylbutanoylamino)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175390
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-(2-tert-butylsulfanylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164784
3-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 63146495
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
1-[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529226
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-[2-[(3-bromobenzoyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529242
1-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-3-methylpiperidine-3-carboxylic acid
CID 82964102
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119257255) is 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid is CC(C)(C)CC(=O)NCC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QFQRTGZNPZLFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)7-10(17)15-8-11(18)16-6-5-14(4,9-16)12(19)20/h5-9H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutanoylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).