2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid

C12H21NO4 — CID 102607546

IUPAC2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COC1COC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-8(2)13-12(11(14)15,9-3-4-9)7-17-10-5-16-6-10/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyPWVTXASFTSBBIV-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.63
Rot. Bonds7

About 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid

2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid (PubChem CID 102607546) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
PubChem CID102607546
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COC1COC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21NO4/c1-8(2)13-12(11(14)15,9-3-4-9)7-17-10-5-16-6-10/h8-10,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyPWVTXASFTSBBIV-UHFFFAOYSA-N
XLogP0.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanoic acid
CID 63919147
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanoic acid
CID 82005980
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)propanoic acid
CID 115942578
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63920958
2-cyclopropyl-3-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)propanamide
CID 63919936
2-cyclopropyl-3-(2,6-dimethylphenoxy)-2-(propan-2-ylamino)propanoic acid
CID 63918609
2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
CID 102605319
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63925992

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid (CID 102607546) is 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(COC1COC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is PWVTXASFTSBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)13-12(11(14)15,9-3-4-9)7-17-10-5-16-6-10/h8-10,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid?
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 102607546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).