ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate

C12H23NO3 — CID 103268251

IUPACethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNC(C)C1CCC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(15)7-11(14)8-13-9(2)10-5-4-6-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeySZDUQLVFJBZXGI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds7

About ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate

ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate (PubChem CID 103268251) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
PubChem CID103268251
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNC(C)C1CCC1
InChIInChI=1S/C12H23NO3/c1-3-16-12(15)7-11(14)8-13-9(2)10-5-4-6-10/h9-11,13-14H,3-8H2,1-2H3
InChIKeySZDUQLVFJBZXGI-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate (CID 103268251) is ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate is CCOC(=O)CC(O)CNC(C)C1CCC1.
What is the InChIKey of ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate?
The InChIKey is SZDUQLVFJBZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-12(15)7-11(14)8-13-9(2)10-5-4-6-10/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate?
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate is sourced from PubChem (CID 103268251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).