2-methyl-2-(oxolan-3-ylamino)pentanoic acid

C10H19NO3 — CID 63557368

IUPAC2-methyl-2-(oxolan-3-ylamino)pentanoic acid
SMILESCCCC(C)(NC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-10(2,9(12)13)11-8-4-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQIGVFPRRZMTHIJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds5

About 2-methyl-2-(oxolan-3-ylamino)pentanoic acid

2-methyl-2-(oxolan-3-ylamino)pentanoic acid (PubChem CID 63557368) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxolan-3-ylamino)pentanoic acid
PubChem CID63557368
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-2-(oxolan-3-ylamino)pentanoic acid
SMILESCCCC(C)(NC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-10(2,9(12)13)11-8-4-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQIGVFPRRZMTHIJ-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-3-ylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(oxolan-3-ylamino)pentanoic acid (CID 63557368) is 2-methyl-2-(oxolan-3-ylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(oxolan-3-ylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(oxolan-3-ylamino)pentanoic acid is CCCC(C)(NC1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxolan-3-ylamino)pentanoic acid?
The InChIKey is QIGVFPRRZMTHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-10(2,9(12)13)11-8-4-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(oxolan-3-ylamino)pentanoic acid?
2-methyl-2-(oxolan-3-ylamino)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-3-ylamino)pentanoic acid is sourced from PubChem (CID 63557368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).