4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid

C12H23NO3 — CID 116522700

IUPAC4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H23NO3/c1-12(2)7-6-10(16-12)9-13(3)8-4-5-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyWHDDLOSLYRQANX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds6

About 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid

4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid (PubChem CID 116522700) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
PubChem CID116522700
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H23NO3/c1-12(2)7-6-10(16-12)9-13(3)8-4-5-11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyWHDDLOSLYRQANX-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
N-cyclopropyl-N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 116522137
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 116522712
3-[2-amino-N-[(5,5-dimethyloxolan-2-yl)methyl]anilino]propanoic acid
CID 116522214
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]butanoic acid
CID 107530324
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
2-[N-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylanilino]acetic acid
CID 116522678
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
1-(5,5-dimethyloxolan-2-yl)pentan-3-one
CID 116522536
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid?
The IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid (CID 116522700) is 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid is CN(CCCC(=O)O)CC1CCC(C)(C)O1.
What is the InChIKey of 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid?
The InChIKey is WHDDLOSLYRQANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)7-6-10(16-12)9-13(3)8-4-5-11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid?
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 116522700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).