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

C13H18N2O5 — CID 81083437

IUPACmethyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
SMILESCOCC(N)C(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C13H18N2O5/c1-18-7-11(14)13(17)15-9-3-5-10(6-4-9)20-8-12(16)19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyXNMHHCCVUFNQKT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.15
Rot. Bonds7

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

methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate (PubChem CID 81083437) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
PubChem CID81083437
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
SMILESCOCC(N)C(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C13H18N2O5/c1-18-7-11(14)13(17)15-9-3-5-10(6-4-9)20-8-12(16)19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyXNMHHCCVUFNQKT-UHFFFAOYSA-N
XLogP0.15
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
CID 120989161
methyl 2-[4-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 43700551
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
(2S)-2-amino-3-methoxy-N-[4-[(4-phenylphenyl)methoxy]phenyl]propanamide
CID 163928568
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate (CID 81083437) is methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate is COCC(N)C(=O)Nc1ccc(OCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate?
The InChIKey is XNMHHCCVUFNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-7-11(14)13(17)15-9-3-5-10(6-4-9)20-8-12(16)19-2/h3-6,11H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate?
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate has a molecular weight of 282.30 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate is sourced from PubChem (CID 81083437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).