3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid

C13H23NO5 — CID 119232781

IUPAC3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
SMILESCC(OCC1CCCCO1)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H23NO5/c1-10(13(17)14(2)7-6-12(15)16)19-9-11-5-3-4-8-18-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXYCZBCAWKQOMSF-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.89
Rot. Bonds7

About 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid

3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid (PubChem CID 119232781) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
PubChem CID119232781
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
SMILESCC(OCC1CCCCO1)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H23NO5/c1-10(13(17)14(2)7-6-12(15)16)19-9-11-5-3-4-8-18-11/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXYCZBCAWKQOMSF-UHFFFAOYSA-N
XLogP0.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
N-methyl-2-(oxolan-2-ylmethoxy)-N-(3-phenoxypropyl)propanamide
CID 48856030
(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
CID 95164985
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
3-[2-ethoxypropanoyl(methyl)amino]propanoic acid
CID 119232901
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
(2S)-N-methyl-N-(4-nitrophenyl)-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95568638
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid (CID 119232781) is 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid is CC(OCC1CCCCO1)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid?
The InChIKey is XYCZBCAWKQOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-10(13(17)14(2)7-6-12(15)16)19-9-11-5-3-4-8-18-11/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid?
3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119232781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).