2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid

C11H21NO3 — CID 82839853

IUPAC2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
SMILESCC1CCC(CN(C)CC(C)C(=O)O)O1
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)6-12(3)7-10-5-4-9(2)15-10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyNESDRLGSOJQXJV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid

2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid (PubChem CID 82839853) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
PubChem CID82839853
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
SMILESCC1CCC(CN(C)CC(C)C(=O)O)O1
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)6-12(3)7-10-5-4-9(2)15-10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyNESDRLGSOJQXJV-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-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid
CID 124689103
3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 103140103
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174
2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
CID 107440730
4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid
CID 82839618
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 103137590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid (CID 82839853) is 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid is CC1CCC(CN(C)CC(C)C(=O)O)O1.
What is the InChIKey of 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid?
The InChIKey is NESDRLGSOJQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(11(13)14)6-12(3)7-10-5-4-9(2)15-10/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid?
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic 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 2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 82839853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).