[(2-methoxyphenyl)methylamino] 2-aminoacetate

C10H14N2O3 — CID 57254589

IUPAC[(2-methoxyphenyl)methylamino] 2-aminoacetate
SMILESCOc1ccccc1CNOC(=O)CN
InChIInChI=1S/C10H14N2O3/c1-14-9-5-3-2-4-8(9)7-12-15-10(13)6-11/h2-5,12H,6-7,11H2,1H3
InChIKeyKTAHMBYQUOYWLS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.20
Rot. Bonds5

About [(2-methoxyphenyl)methylamino] 2-aminoacetate

[(2-methoxyphenyl)methylamino] 2-aminoacetate (PubChem CID 57254589) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(2-methoxyphenyl)methylamino] 2-aminoacetate.

Molecular Properties

Compound Name[(2-methoxyphenyl)methylamino] 2-aminoacetate
PubChem CID57254589
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[(2-methoxyphenyl)methylamino] 2-aminoacetate
SMILESCOc1ccccc1CNOC(=O)CN
InChIInChI=1S/C10H14N2O3/c1-14-9-5-3-2-4-8(9)7-12-15-10(13)6-11/h2-5,12H,6-7,11H2,1H3
InChIKeyKTAHMBYQUOYWLS-UHFFFAOYSA-N
XLogP0.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-aminoacetyl) 2-chloro-3-(2-methoxyphenyl)propanoate
CID 150902470
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
3-(2-methoxyphenyl)peroxy-3-oxopropanoic acid
CID 87480607
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344

Frequently Asked Questions

What is the IUPAC name of [(2-methoxyphenyl)methylamino] 2-aminoacetate?
The IUPAC name of [(2-methoxyphenyl)methylamino] 2-aminoacetate (CID 57254589) is [(2-methoxyphenyl)methylamino] 2-aminoacetate.
What is the SMILES notation for [(2-methoxyphenyl)methylamino] 2-aminoacetate?
The canonical SMILES for [(2-methoxyphenyl)methylamino] 2-aminoacetate is COc1ccccc1CNOC(=O)CN.
What is the InChIKey of [(2-methoxyphenyl)methylamino] 2-aminoacetate?
The InChIKey is KTAHMBYQUOYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-9-5-3-2-4-8(9)7-12-15-10(13)6-11/h2-5,12H,6-7,11H2,1H3.
What are the key properties of [(2-methoxyphenyl)methylamino] 2-aminoacetate?
[(2-methoxyphenyl)methylamino] 2-aminoacetate has a molecular weight of 210.23 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxyphenyl)methylamino] 2-aminoacetate is sourced from PubChem (CID 57254589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).