1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H28N2O3 — CID 106976023

IUPAC1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CCCNC(C)C
InChIInChI=1S/C15H28N2O3/c1-4-8-15(14(19)20)9-6-11-17(15)13(18)7-5-10-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyHJQAITCNDLQORS-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds8

About 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976023) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976023
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CCCNC(C)C
InChIInChI=1S/C15H28N2O3/c1-4-8-15(14(19)20)9-6-11-17(15)13(18)7-5-10-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyHJQAITCNDLQORS-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
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-[3-(aminomethyl)-5-methylhexanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976053
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106976023) is 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CCCNC(C)C.
What is the InChIKey of 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is HJQAITCNDLQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-8-15(14(19)20)9-6-11-17(15)13(18)7-5-10-16-12(2)3/h12,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).