(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate

C12H16N2O4 — CID 107436906

IUPAC(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCOc1cccc(COC(=O)CNCC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-17-10-4-2-3-9(5-10)8-18-12(16)7-14-6-11(13)15/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyFTJJUUVRBROYLI-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.19
Rot. Bonds7

About (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate

(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate (PubChem CID 107436906) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
PubChem CID107436906
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCOc1cccc(COC(=O)CNCC(N)=O)c1
InChIInChI=1S/C12H16N2O4/c1-17-10-4-2-3-9(5-10)8-18-12(16)7-14-6-11(13)15/h2-5,14H,6-8H2,1H3,(H2,13,15)
InChIKeyFTJJUUVRBROYLI-UHFFFAOYSA-N
XLogP-0.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
CID 61280033
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl pentanoate
CID 78789338
(3-methoxyphenyl)methyl 6-aminohexanoate
CID 61280031
(3-methoxyphenyl)methyl hexadecanoate
CID 23119633
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
(3-methoxyphenyl)methyl but-2-enoate
CID 75850831
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-cyanophenyl)methyl 5-(3-methoxyphenyl)-3-oxopentanoate
CID 68847873
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate (CID 107436906) is (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate is COc1cccc(COC(=O)CNCC(N)=O)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is FTJJUUVRBROYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-10-4-2-3-9(5-10)8-18-12(16)7-14-6-11(13)15/h2-5,14H,6-8H2,1H3,(H2,13,15).
What are the key properties of (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 252.27 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 107436906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).