methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate

C16H25NO3 — CID 64706465

IUPACmethyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)13-8-6-7-9-14(13)20-12(3)10-16(4,17)15(18)19-5/h6-9,11-12H,10,17H2,1-5H3
InChIKeyKUKKRZWVXUUXSA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds6

About methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate

methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate (PubChem CID 64706465) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
PubChem CID64706465
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C16H25NO3/c1-11(2)13-8-6-7-9-14(13)20-12(3)10-16(4,17)15(18)19-5/h6-9,11-12H,10,17H2,1-5H3
InChIKeyKUKKRZWVXUUXSA-UHFFFAOYSA-N
XLogP2.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707886
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 79797474
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate (CID 64706465) is methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate is COC(=O)C(C)(N)CC(C)Oc1ccccc1C(C)C.
What is the InChIKey of methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate?
The InChIKey is KUKKRZWVXUUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)13-8-6-7-9-14(13)20-12(3)10-16(4,17)15(18)19-5/h6-9,11-12H,10,17H2,1-5H3.
What are the key properties of methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate?
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate has a molecular weight of 279.38 g/mol, XLogP of 2.86, 6 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-(2-propan-2-ylphenoxy)pentanoate is sourced from PubChem (CID 64706465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).