3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid

C11H19NO4 — CID 115731415

IUPAC3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(C)OCC1CC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(11(14)15)5-12-10(13)8(2)16-6-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYWTKOIGJAGIZJK-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds7

About 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid

3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid (PubChem CID 115731415) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
PubChem CID115731415
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C(C)OCC1CC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(11(14)15)5-12-10(13)8(2)16-6-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYWTKOIGJAGIZJK-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-N-(2-sulfamoylpropyl)propanamide
CID 75396913
2-(cyclopropylmethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111483187
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
(2R)-2-(cyclopropylmethoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 94391575
2-(cyclopropylmethoxy)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 86846922
(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541183
(2R)-2-(cyclopropylmethoxy)-N-[[(2R)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541187
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
N-ethyl-2-(pyrrolidin-3-ylmethoxy)propanamide
CID 62372974
2-(cyclobutylmethoxy)propanamide
CID 164935394

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid (CID 115731415) is 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid is CC(CNC(=O)C(C)OCC1CC1)C(=O)O.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid?
The InChIKey is YWTKOIGJAGIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(11(14)15)5-12-10(13)8(2)16-6-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid?
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).