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

C9H17NO3 — CID 82726081

IUPAC2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC(CNC1CCOC1C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)5-10-8-3-4-13-7(8)2/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeySPGLAESOAZOHHS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.47
Rot. Bonds4

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

2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 82726081) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
PubChem CID82726081
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC(CNC1CCOC1C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)5-10-8-3-4-13-7(8)2/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeySPGLAESOAZOHHS-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
(2R)-1-[[(2R,3R)-2-methyloxolan-3-yl]amino]propan-2-ol
CID 97358024
1-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 75525152
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
N-methyl-2-[[(2R,3R)-2-methyloxolan-3-yl]amino]acetamide
CID 130643593
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
4,4-dimethyl-1-[(2-methyloxolan-3-yl)amino]pentan-2-ol
CID 115751370
2-N-cyclopropyl-2-N-methyl-1-N-(2-methyloxolan-3-yl)propane-1,2-diamine
CID 115751304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid (CID 82726081) is 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid is CC(CNC1CCOC1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is SPGLAESOAZOHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(11)12)5-10-8-3-4-13-7(8)2/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid?
2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82726081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).