1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

C15H28N2O3 — CID 63148720

IUPAC1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(14(19)20)8-9-17(10-15)12(4)13(18)16-11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyAUEWXKIRIQUARI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds7

About 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63148720) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63148720
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C15H28N2O3/c1-5-7-15(14(19)20)8-9-17(10-15)12(4)13(18)16-11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyAUEWXKIRIQUARI-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (CID 63148720) is 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(=O)NC(C)CC)C1.
What is the InChIKey of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AUEWXKIRIQUARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-15(14(19)20)8-9-17(10-15)12(4)13(18)16-11(3)6-2/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).