1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H28N2O3 — CID 106978298

IUPAC1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-6-10-17(15)14(20)16(4)11-7-12(2)3/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyPJFLQRMMXZMLKJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds6

About 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978298) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978298
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(C)C
InChIInChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-6-10-17(15)14(20)16(4)11-7-12(2)3/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyPJFLQRMMXZMLKJ-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978343
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978547
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978298) is 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(C)C.
What is the InChIKey of 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is PJFLQRMMXZMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-15(13(18)19)9-6-10-17(15)14(20)16(4)11-7-12(2)3/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).