2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid

C12H24N2O2 — CID 60994231

IUPAC2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)9-8-13-12(3,11(15)16)10-6-7-10/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyKEIMPIOQZKRNOZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds8

About 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid

2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid (PubChem CID 60994231) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid
PubChem CID60994231
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)9-8-13-12(3,11(15)16)10-6-7-10/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyKEIMPIOQZKRNOZ-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid (CID 60994231) is 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid is CCN(CC)CCNC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid?
The InChIKey is KEIMPIOQZKRNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(5-2)9-8-13-12(3,11(15)16)10-6-7-10/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid?
2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(diethylamino)ethylamino]propanoic acid is sourced from PubChem (CID 60994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).