methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate

C11H23NO2 — CID 114868075

IUPACmethyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCOC(=O)C(N)(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(12,7-9(3)4)10(13)14-5/h8-9H,6-7,12H2,1-5H3
InChIKeyDBSBJIDNQHZFBB-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.95
Rot. Bonds5

About methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate

methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate (PubChem CID 114868075) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
PubChem CID114868075
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCOC(=O)C(N)(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(12,7-9(3)4)10(13)14-5/h8-9H,6-7,12H2,1-5H3
InChIKeyDBSBJIDNQHZFBB-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate 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

3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
dimethyl 2-(4-methylpentyl)-2-(2-methylpropyl)propanedioate
CID 139692173
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl 2-ethyl-3-hydroxy-5-methyl-3-(2-methylpropyl)hexanoate
CID 114868675
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
methyl 4-methyl-2-propan-2-yl-2-(trifluoromethyl)pentanoate
CID 90268343
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate (CID 114868075) is methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate is COC(=O)C(N)(CC(C)C)CC(C)C.
What is the InChIKey of methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate?
The InChIKey is DBSBJIDNQHZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-11(12,7-9(3)4)10(13)14-5/h8-9H,6-7,12H2,1-5H3.
What are the key properties of methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate?
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 114868075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).