methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate

C18H29NO2 — CID 66099026

IUPACmethyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)N
InChIInChI=1S/C18H29NO2/c1-16(2,3)13-8-10-14(11-9-13)18(6,17(4,5)19)12-15(20)21-7/h8-11H,12,19H2,1-7H3
InChIKeyCVCBEVATVKPSBS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.54
Rot. Bonds4

About methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate

methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate (PubChem CID 66099026) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
PubChem CID66099026
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Namemethyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)N
InChIInChI=1S/C18H29NO2/c1-16(2,3)13-8-10-14(11-9-13)18(6,17(4,5)19)12-15(20)21-7/h8-11H,12,19H2,1-7H3
InChIKeyCVCBEVATVKPSBS-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate 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

methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
CID 2757311
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
methyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848368
bis(4-tert-butylphenyl) propanedioate
CID 56991121
methyl 3,3-bis(4-hydroxyphenyl)butanoate
CID 54082029
methyl (3S)-3-amino-3-pyridin-4-ylbutanoate
CID 97049448
methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
1-O-tert-butyl 4-O-methyl 2-amino-2-(4-hydroxyphenyl)butanedioate
CID 67174815

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate?
The IUPAC name of methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate (CID 66099026) is methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate?
The canonical SMILES for methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate is COC(=O)CC(C)(c1ccc(C(C)(C)C)cc1)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate?
The InChIKey is CVCBEVATVKPSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16(2,3)13-8-10-14(11-9-13)18(6,17(4,5)19)12-15(20)21-7/h8-11H,12,19H2,1-7H3.
What are the key properties of methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate?
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate has a molecular weight of 291.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate is sourced from PubChem (CID 66099026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).