4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid

C14H28N2O2 — CID 65058588

IUPAC4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
SMILESCC(C)N1CCC(N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)15-9-7-13(10-15)16(12(3)4)8-5-6-14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyBAVCTDNAWQPICW-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.04
Rot. Bonds7

About 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid

4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid (PubChem CID 65058588) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
PubChem CID65058588
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
SMILESCC(C)N1CCC(N(CCCC(=O)O)C(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)15-9-7-13(10-15)16(12(3)4)8-5-6-14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyBAVCTDNAWQPICW-UHFFFAOYSA-N
XLogP2.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid (CID 65058588) is 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid is CC(C)N1CCC(N(CCCC(=O)O)C(C)C)C1.
What is the InChIKey of 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid?
The InChIKey is BAVCTDNAWQPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)15-9-7-13(10-15)16(12(3)4)8-5-6-14(17)18/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid?
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid has a molecular weight of 256.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 65058588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).