2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid

C15H20N2O6 — CID 169191681

IUPAC2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid
SMILESCN(CCOC(=O)CNC(=O)OCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H20N2O6/c1-17(10-13(18)19)7-8-22-14(20)9-16-15(21)23-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,21)(H,18,19)
InChIKeySTDOHPMZOUGXAO-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.47
Rot. Bonds9

About 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid

2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid (PubChem CID 169191681) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid
PubChem CID169191681
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid
SMILESCN(CCOC(=O)CNC(=O)OCc1ccccc1)CC(=O)O
InChIInChI=1S/C15H20N2O6/c1-17(10-13(18)19)7-8-22-14(20)9-16-15(21)23-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,21)(H,18,19)
InChIKeySTDOHPMZOUGXAO-UHFFFAOYSA-N
XLogP0.47
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
2-[2-[2-[2-methoxyethyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]oxy-2-methylpropanoyl]oxyacetic acid
CID 169191584
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
CID 176618117
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
CID 17936
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
methyl 2-[[2-[[2-[[2-(phenylmethoxycarbonylamino)ethanethioyl]amino]ethanethioyl]amino]ethanethioyl]amino]acetate
CID 102434309
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid (CID 169191681) is 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid is CN(CCOC(=O)CNC(=O)OCc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid?
The InChIKey is STDOHPMZOUGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-17(10-13(18)19)7-8-22-14(20)9-16-15(21)23-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,21)(H,18,19).
What are the key properties of 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid?
2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid has a molecular weight of 324.33 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[2-(phenylmethoxycarbonylamino)acetyl]oxyethyl]amino]acetic acid is sourced from PubChem (CID 169191681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).