4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid

C11H21NO3 — CID 110838535

IUPAC4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-8(2)6-10(11(13)14)12(3)9-4-5-15-7-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyZHCBAVVTUKYBBS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid

4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid (PubChem CID 110838535) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
PubChem CID110838535
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
SMILESCC(C)CC(C(=O)O)N(C)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-8(2)6-10(11(13)14)12(3)9-4-5-15-7-9/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyZHCBAVVTUKYBBS-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[methyl(oxolan-3-yl)amino]propanoic acid
CID 82734246
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
CID 110838532
4-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748967
3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
CID 103224554
2-[methyl(oxepan-4-yl)amino]butanoic acid
CID 65080725
2-[methyl(oxolan-3-yl)amino]pentanehydrazide
CID 83047683
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 82748099
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
2-[methyl(oxan-3-yl)amino]propan-1-ol
CID 103857883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid (CID 110838535) is 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid is CC(C)CC(C(=O)O)N(C)C1CCOC1.
What is the InChIKey of 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid?
The InChIKey is ZHCBAVVTUKYBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)6-10(11(13)14)12(3)9-4-5-15-7-9/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid?
4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 110838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).