1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

C16H30N2O3 — CID 106978479

IUPAC1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H30N2O3/c1-5-8-16(14(19)20)9-7-10-18(16)15(21)17-13(4)11-12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyOUNLMDFWFZZALV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds7

About 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978479) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978479
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H30N2O3/c1-5-8-16(14(19)20)9-7-10-18(16)15(21)17-13(4)11-12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyOUNLMDFWFZZALV-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598318
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-(3-methylsulfanylbutylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978589
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978479) is 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NC(C)CC(C)CC.
What is the InChIKey of 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is OUNLMDFWFZZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-16(14(19)20)9-7-10-18(16)15(21)17-13(4)11-12(3)6-2/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).