ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate

C16H23NO3 — CID 116694362

IUPACethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
SMILESCCOC(=O)C(N)(CCOC1CCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-19-15(18)16(17,13-7-4-3-5-8-13)11-12-20-14-9-6-10-14/h3-5,7-8,14H,2,6,9-12,17H2,1H3
InChIKeyRHXRDIAMHGDPAE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds7

About ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate

ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate (PubChem CID 116694362) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
PubChem CID116694362
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
SMILESCCOC(=O)C(N)(CCOC1CCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-19-15(18)16(17,13-7-4-3-5-8-13)11-12-20-14-9-6-10-14/h3-5,7-8,14H,2,6,9-12,17H2,1H3
InChIKeyRHXRDIAMHGDPAE-UHFFFAOYSA-N
XLogP2.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
methyl 2-amino-3-cyclobutyloxy-2-phenylpropanoate
CID 55041263
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
2-amino-4-(3-methoxycyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695410
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
CID 116694375
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
CID 82007437
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
ethyl 2-(cyclopentylamino)-2-phenylpropanoate
CID 54893875
diethyl 2-azido-2-phenylpropanedioate
CID 14066098
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate?
The IUPAC name of ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate (CID 116694362) is ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate?
The canonical SMILES for ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate is CCOC(=O)C(N)(CCOC1CCC1)c1ccccc1.
What is the InChIKey of ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate?
The InChIKey is RHXRDIAMHGDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-15(18)16(17,13-7-4-3-5-8-13)11-12-20-14-9-6-10-14/h3-5,7-8,14H,2,6,9-12,17H2,1H3.
What are the key properties of ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate?
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate has a molecular weight of 277.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate is sourced from PubChem (CID 116694362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).