ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate

C14H21NO3 — CID 5022792

IUPACethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-5-14(15,13(16)18-6-2)11-9-10(3)7-8-12(11)17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyPYELAUKYMRALBP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate

ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate (PubChem CID 5022792) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
PubChem CID5022792
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(C)ccc1OC
InChIInChI=1S/C14H21NO3/c1-5-14(15,13(16)18-6-2)11-9-10(3)7-8-12(11)17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyPYELAUKYMRALBP-UHFFFAOYSA-N
XLogP2.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 3504992
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate?
The IUPAC name of ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate (CID 5022792) is ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate.
What is the SMILES notation for ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate?
The canonical SMILES for ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate is CCOC(=O)C(N)(CC)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate?
The InChIKey is PYELAUKYMRALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-14(15,13(16)18-6-2)11-9-10(3)7-8-12(11)17-4/h7-9H,5-6,15H2,1-4H3.
What are the key properties of ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate?
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate has a molecular weight of 251.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate is sourced from PubChem (CID 5022792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).