2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid

C13H25NO3 — CID 114994031

IUPAC2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(C)CC(C)(NC(C)C1CCCO1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)8-13(4,12(15)16)14-10(3)11-6-5-7-17-11/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyVOPPGAYZIKBJJX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.03
Rot. Bonds6

About 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid

2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid (PubChem CID 114994031) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
PubChem CID114994031
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(C)CC(C)(NC(C)C1CCCO1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-9(2)8-13(4,12(15)16)14-10(3)11-6-5-7-17-11/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyVOPPGAYZIKBJJX-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid (CID 114994031) is 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid is CC(C)CC(C)(NC(C)C1CCCO1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The InChIKey is VOPPGAYZIKBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)8-13(4,12(15)16)14-10(3)11-6-5-7-17-11/h9-11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 114994031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).