ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid

C12H26N2O2 — CID 142538582

IUPACethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid
SMILESCC.CCN1CC(N(CC)C(C)C(=O)O)C1
InChIInChI=1S/C10H20N2O2.C2H6/c1-4-11-6-9(7-11)12(5-2)8(3)10(13)14;1-2/h8-9H,4-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyPCSJVGOKOUFZDE-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.51
Rot. Bonds5

About ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid

ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid (PubChem CID 142538582) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Nameethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid
PubChem CID142538582
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid
SMILESCC.CCN1CC(N(CC)C(C)C(=O)O)C1
InChIInChI=1S/C10H20N2O2.C2H6/c1-4-11-6-9(7-11)12(5-2)8(3)10(13)14;1-2/h8-9H,4-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyPCSJVGOKOUFZDE-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid?
The IUPAC name of ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid (CID 142538582) is ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid.
What is the SMILES notation for ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid?
The canonical SMILES for ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid is CC.CCN1CC(N(CC)C(C)C(=O)O)C1.
What is the InChIKey of ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid?
The InChIKey is PCSJVGOKOUFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C2H6/c1-4-11-6-9(7-11)12(5-2)8(3)10(13)14;1-2/h8-9H,4-7H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid?
ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 142538582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).