methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate

C14H20N2O4 — CID 79011577

IUPACmethyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-9(2)13(15)14(18)16-10-4-6-11(7-5-10)20-8-12(17)19-3/h4-7,9,13H,8,15H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXOOBHMJQZWPROZ-CYBMUJFWSA-N
MW280.32 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate

methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate (PubChem CID 79011577) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
PubChem CID79011577
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-9(2)13(15)14(18)16-10-4-6-11(7-5-10)20-8-12(17)19-3/h4-7,9,13H,8,15H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyXOOBHMJQZWPROZ-CYBMUJFWSA-N
XLogP1.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
(2-methoxy-2-oxoethyl) 2-[4-[(2-hydroxyacetyl)amino]phenoxy]acetate
CID 59253966
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
CID 55940508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate (CID 79011577) is methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)[C@H](N)C(C)C)cc1.
What is the InChIKey of methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate?
The InChIKey is XOOBHMJQZWPROZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)13(15)14(18)16-10-4-6-11(7-5-10)20-8-12(17)19-3/h4-7,9,13H,8,15H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate?
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate is sourced from PubChem (CID 79011577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).