3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid

C12H23NO3 — CID 106204662

IUPAC3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COCCC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)8-16-7-6-10-4-3-5-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUMFSFMFBJKLGHJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.64
Rot. Bonds8

About 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid

3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid (PubChem CID 106204662) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
PubChem CID106204662
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(COCCC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)8-16-7-6-10-4-3-5-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyUMFSFMFBJKLGHJ-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 106206822
3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
CID 106204336
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
3-(2-cyclobutylethoxy)-2-cyclopropyl-2-(propan-2-ylamino)propanoic acid
CID 114157863
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
(2S)-3-acetyloxy-2-(propan-2-ylamino)propanoic acid
CID 88967378
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid (CID 106204662) is 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid is CC(C)NC(COCCC1CCC1)C(=O)O.
What is the InChIKey of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid?
The InChIKey is UMFSFMFBJKLGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)8-16-7-6-10-4-3-5-10/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid?
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 106204662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).