2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid

C12H22N2O2 — CID 65055653

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCN(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-2-3-11(12(15)16)13-9-6-7-14(8-9)10-4-5-10/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyKFQKHBPSIUOYOF-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds6

About 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid

2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid (PubChem CID 65055653) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
PubChem CID65055653
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCN(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-2-3-11(12(15)16)13-9-6-7-14(8-9)10-4-5-10/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyKFQKHBPSIUOYOF-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid (CID 65055653) is 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid is CCCC(NC1CCN(C2CC2)C1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid?
The InChIKey is KFQKHBPSIUOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-11(12(15)16)13-9-6-7-14(8-9)10-4-5-10/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid?
2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid has a molecular weight of 226.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)amino]pentanoic acid is sourced from PubChem (CID 65055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).