2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid

C14H24N2O3 — CID 113418208

IUPAC2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)C1CCN(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)10-6-7-15(8-10)13(19)16(9-12(17)18)11-4-5-11/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyZMCXGPKAFBWHFS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid

2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 113418208) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
PubChem CID113418208
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)C1CCN(C(=O)N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)10-6-7-15(8-10)13(19)16(9-12(17)18)11-4-5-11/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyZMCXGPKAFBWHFS-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid (CID 113418208) is 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid is CC(C)(C)C1CCN(C(=O)N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is ZMCXGPKAFBWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)10-6-7-15(8-10)13(19)16(9-12(17)18)11-4-5-11/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid?
2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 113418208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).