ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate

C16H23NO3 — CID 60796294

IUPACethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H23NO3/c1-5-20-15(18)16(3,17-12-7-8-12)13-10-11(2)6-9-14(13)19-4/h6,9-10,12,17H,5,7-8H2,1-4H3
InChIKeyQSIHLCJLNBCACQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate

ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate (PubChem CID 60796294) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
PubChem CID60796294
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC1CC1)c1cc(C)ccc1OC
InChIInChI=1S/C16H23NO3/c1-5-20-15(18)16(3,17-12-7-8-12)13-10-11(2)6-9-14(13)19-4/h6,9-10,12,17H,5,7-8H2,1-4H3
InChIKeyQSIHLCJLNBCACQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
ethyl 2-(2-bromophenyl)-2-(cyclopentylamino)propanoate
CID 60998155
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate (CID 60796294) is ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate is CCOC(=O)C(C)(NC1CC1)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The InChIKey is QSIHLCJLNBCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-20-15(18)16(3,17-12-7-8-12)13-10-11(2)6-9-14(13)19-4/h6,9-10,12,17H,5,7-8H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate is sourced from PubChem (CID 60796294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).