1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid

C15H28N2O3 — CID 107472114

IUPAC1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(CN)CC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(13(19)20)6-7-17(10-15)12(18)11(9-16)8-14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20)
InChIKeyFKLIXSKYJQLRFU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds5

About 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 107472114) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID107472114
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C(CN)CC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-15(13(19)20)6-7-17(10-15)12(18)11(9-16)8-14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20)
InChIKeyFKLIXSKYJQLRFU-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-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

1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
2-(aminomethyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472778
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 107470882
3-ethyl-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106330455
1-(3-amino-2-methoxypropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 106112823
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
4-ethyl-1-(3,5,5-trimethylhexanoyl)piperidine-4-carboxylic acid
CID 63125277
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144705
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 107472114) is 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C(CN)CC(C)(C)C)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is FKLIXSKYJQLRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(13(19)20)6-7-17(10-15)12(18)11(9-16)8-14(2,3)4/h11H,5-10,16H2,1-4H3,(H,19,20).
What are the key properties of 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107472114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).