1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H28N2O3 — CID 106976004

IUPAC1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C(CN)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-4-6-15(14(19)20)7-5-8-17(15)13(18)12(10-16)9-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20)
InChIKeyUREMQKGDWPBHBU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976004) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976004
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C(CN)CC(C)C
InChIInChI=1S/C15H28N2O3/c1-4-6-15(14(19)20)7-5-8-17(15)13(18)12(10-16)9-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20)
InChIKeyUREMQKGDWPBHBU-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)-5-methylhexanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976053
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106976004) is 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C(CN)CC(C)C.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is UREMQKGDWPBHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-15(14(19)20)7-5-8-17(15)13(18)12(10-16)9-11(2)3/h11-12H,4-10,16H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).