2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid

C11H21NO3 — CID 83040810

IUPAC2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCC1(C)CCCO1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-9(10(13)14)12-8-11(2)6-4-7-15-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyBMJGSKZMIXFAON-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds6

About 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid

2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid (PubChem CID 83040810) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
PubChem CID83040810
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCC1(C)CCCO1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-5-9(10(13)14)12-8-11(2)6-4-7-15-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyBMJGSKZMIXFAON-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 114005749
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686817
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
CID 103253670
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 165451319
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
CID 65055607
2-[(2-methyloxolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115688437
2-methoxy-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]propanoic acid
CID 114144739
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]hexanoic acid
CID 106102621
2-[(2-methylthiolan-2-yl)methylamino]hexanoic acid
CID 103259903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid (CID 83040810) is 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid is CCCC(NCC1(C)CCCO1)C(=O)O.
What is the InChIKey of 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid?
The InChIKey is BMJGSKZMIXFAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-9(10(13)14)12-8-11(2)6-4-7-15-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid?
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 83040810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).