2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid

C12H23NO3 — CID 82328121

IUPAC2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
SMILESCCCN(CC1CCCO1)CC(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-6-13(8-10(2)12(14)15)9-11-5-4-7-16-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFLMPDCJTRIQQJN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds7

About 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid

2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid (PubChem CID 82328121) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
PubChem CID82328121
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
SMILESCCCN(CC1CCCO1)CC(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-6-13(8-10(2)12(14)15)9-11-5-4-7-16-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFLMPDCJTRIQQJN-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82327489
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344913
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
2-acetamido-3-[ethyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 64582510
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82328774
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
3-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid (CID 82328121) is 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid is CCCN(CC1CCCO1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid?
The InChIKey is FLMPDCJTRIQQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-6-13(8-10(2)12(14)15)9-11-5-4-7-16-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid?
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).