methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate

C14H21NO3 — CID 64708498

IUPACmethyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-10-6-5-7-12(8-10)18-11(2)9-14(3,15)13(16)17-4/h5-8,11H,9,15H2,1-4H3
InChIKeyBLQMDPXWQNHGBN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds5

About methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate

methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate (PubChem CID 64708498) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
PubChem CID64708498
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-10-6-5-7-12(8-10)18-11(2)9-14(3,15)13(16)17-4/h5-8,11H,9,15H2,1-4H3
InChIKeyBLQMDPXWQNHGBN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
2-(cyclopropylamino)-2-methyl-4-(3-methylphenoxy)pentan-1-ol
CID 64802296
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
dimethyl 2-(3-methylphenoxy)propanedioate
CID 94687292
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate (CID 64708498) is methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate is COC(=O)C(C)(N)CC(C)Oc1cccc(C)c1.
What is the InChIKey of methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate?
The InChIKey is BLQMDPXWQNHGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-5-7-12(8-10)18-11(2)9-14(3,15)13(16)17-4/h5-8,11H,9,15H2,1-4H3.
What are the key properties of methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate?
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate is sourced from PubChem (CID 64708498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).