3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid

C12H23NO3 — CID 63920407

IUPAC3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid
SMILESCCNC(COC(C)CC)(C(=O)O)C1CC1
InChIInChI=1S/C12H23NO3/c1-4-9(3)16-8-12(11(14)15,13-5-2)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDDNYIHLIMICNRH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.64
Rot. Bonds8

About 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid

3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid (PubChem CID 63920407) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid
PubChem CID63920407
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid
SMILESCCNC(COC(C)CC)(C(=O)O)C1CC1
InChIInChI=1S/C12H23NO3/c1-4-9(3)16-8-12(11(14)15,13-5-2)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyDDNYIHLIMICNRH-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

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
2-cyclopropyl-2-(ethylamino)-3-(oxolan-2-ylmethoxy)propanoic acid
CID 63921325
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 63917288
2-cyclopropyl-2-(ethylamino)-3-(3-methylbutoxy)propanamide
CID 63921332
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanoate
CID 66103421

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid?
The IUPAC name of 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid (CID 63920407) is 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid.
What is the SMILES notation for 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid?
The canonical SMILES for 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid is CCNC(COC(C)CC)(C(=O)O)C1CC1.
What is the InChIKey of 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid?
The InChIKey is DDNYIHLIMICNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-9(3)16-8-12(11(14)15,13-5-2)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid?
3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)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-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid is sourced from PubChem (CID 63920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).