2-(phenylmethoxymethoxyamino)acetic acid

C10H13NO4 — CID 20725030

IUPAC2-(phenylmethoxymethoxyamino)acetic acid
SMILESO=C(O)CNOCOCc1ccccc1
InChIInChI=1S/C10H13NO4/c12-10(13)6-11-15-8-14-7-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
InChIKeyOGNQAFCQBLGKOB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.77
Rot. Bonds7

About 2-(phenylmethoxymethoxyamino)acetic acid

2-(phenylmethoxymethoxyamino)acetic acid (PubChem CID 20725030) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(phenylmethoxymethoxyamino)acetic acid.

Molecular Properties

Compound Name2-(phenylmethoxymethoxyamino)acetic acid
PubChem CID20725030
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(phenylmethoxymethoxyamino)acetic acid
SMILESO=C(O)CNOCOCc1ccccc1
InChIInChI=1S/C10H13NO4/c12-10(13)6-11-15-8-14-7-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
InChIKeyOGNQAFCQBLGKOB-UHFFFAOYSA-N
XLogP0.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(phenylmethoxymethylamino)acetic acid
CID 145078900
acetic acid;phenylmethoxymethylbenzene
CID 175214238
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
N-ethyl-N-methyl-2-(phenylmethoxyamino)acetamide
CID 64974385
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
3-formamido-3-phenylmethoxypropanoic acid
CID 87105674
N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974421
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
phenylmethoxymethyl nitrate
CID 152715822
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethoxyamino)acetic acid?
The IUPAC name of 2-(phenylmethoxymethoxyamino)acetic acid (CID 20725030) is 2-(phenylmethoxymethoxyamino)acetic acid.
What is the SMILES notation for 2-(phenylmethoxymethoxyamino)acetic acid?
The canonical SMILES for 2-(phenylmethoxymethoxyamino)acetic acid is O=C(O)CNOCOCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxymethoxyamino)acetic acid?
The InChIKey is OGNQAFCQBLGKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-10(13)6-11-15-8-14-7-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13).
What are the key properties of 2-(phenylmethoxymethoxyamino)acetic acid?
2-(phenylmethoxymethoxyamino)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethoxyamino)acetic acid is sourced from PubChem (CID 20725030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).