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

C14H25N3O4 — CID 106978650

IUPAC1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C14H25N3O4/c1-4-7-14(12(19)20)8-5-9-17(14)13(21)16(3)10-6-11(18)15-2/h4-10H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYTJDTUCWLGRNRS-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.89
Rot. Bonds6

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

1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978650) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978650
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C14H25N3O4/c1-4-7-14(12(19)20)8-5-9-17(14)13(21)16(3)10-6-11(18)15-2/h4-10H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYTJDTUCWLGRNRS-UHFFFAOYSA-N
XLogP0.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83063850
1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978343
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978175
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978547
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978650) is 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(=O)NC.
What is the InChIKey of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is YTJDTUCWLGRNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-7-14(12(19)20)8-5-9-17(14)13(21)16(3)10-6-11(18)15-2/h4-10H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).