ethane;2-(phenylmethoxymethylamino)acetic acid

C12H19NO3 — CID 145078900

IUPACethane;2-(phenylmethoxymethylamino)acetic acid
SMILESCC.O=C(O)CNCOCc1ccccc1
InChIInChI=1S/C10H13NO3.C2H6/c12-10(13)6-11-8-14-7-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2,(H,12,13);1-2H3
InChIKeyUZWYLIYRDQUSOZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.86
Rot. Bonds6

About ethane;2-(phenylmethoxymethylamino)acetic acid

ethane;2-(phenylmethoxymethylamino)acetic acid (PubChem CID 145078900) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethane;2-(phenylmethoxymethylamino)acetic acid.

Molecular Properties

Compound Nameethane;2-(phenylmethoxymethylamino)acetic acid
PubChem CID145078900
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethane;2-(phenylmethoxymethylamino)acetic acid
SMILESCC.O=C(O)CNCOCc1ccccc1
InChIInChI=1S/C10H13NO3.C2H6/c12-10(13)6-11-8-14-7-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2,(H,12,13);1-2H3
InChIKeyUZWYLIYRDQUSOZ-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-(phenylmethoxymethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(phenylmethoxymethoxyamino)acetic acid
CID 20725030
N-(phenylmethoxymethyl)acetamide
CID 91608192
acetic acid;phenylmethoxymethylbenzene
CID 175214238
ethane;phenylmethoxymethylbenzene
CID 90943549
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-[2-[(4-benzylphenyl)methoxymethylamino]-2-oxoethyl]-2-[[2-[[2-[(2-bromoacetyl)amino]acetyl]amino]acetyl]amino]acetamide
CID 174280501
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396

Frequently Asked Questions

What is the IUPAC name of ethane;2-(phenylmethoxymethylamino)acetic acid?
The IUPAC name of ethane;2-(phenylmethoxymethylamino)acetic acid (CID 145078900) is ethane;2-(phenylmethoxymethylamino)acetic acid.
What is the SMILES notation for ethane;2-(phenylmethoxymethylamino)acetic acid?
The canonical SMILES for ethane;2-(phenylmethoxymethylamino)acetic acid is CC.O=C(O)CNCOCc1ccccc1.
What is the InChIKey of ethane;2-(phenylmethoxymethylamino)acetic acid?
The InChIKey is UZWYLIYRDQUSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C2H6/c12-10(13)6-11-8-14-7-9-4-2-1-3-5-9;1-2/h1-5,11H,6-8H2,(H,12,13);1-2H3.
What are the key properties of ethane;2-(phenylmethoxymethylamino)acetic acid?
ethane;2-(phenylmethoxymethylamino)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(phenylmethoxymethylamino)acetic acid is sourced from PubChem (CID 145078900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).