ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate

C13H19NO4 — CID 10800857

IUPACethyl 3-methoxy-2-(phenylmethoxyamino)propanoate
SMILESCCOC(=O)C(COC)NOCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-3-17-13(15)12(10-16-2)14-18-9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyUNQKNBZVCXCREP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.29
Rot. Bonds8

About ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate

ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate (PubChem CID 10800857) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-(phenylmethoxyamino)propanoate
PubChem CID10800857
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 3-methoxy-2-(phenylmethoxyamino)propanoate
SMILESCCOC(=O)C(COC)NOCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-3-17-13(15)12(10-16-2)14-18-9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3
InChIKeyUNQKNBZVCXCREP-UHFFFAOYSA-N
XLogP1.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate 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

O-benzyl-L-serine
CID 78457
3-Amino-4-Oxybenzyl-2-Butanone
CID 5289348
(2S,3R)-2-amino-3-(benzyloxy)butanoic acid
CID 6951054
D-Alanine, phenylmethyl ester
CID 726857
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584
O-Benzyl-D-serine
CID 112114
Benzyl L-alaninate hydrochloride
CID 437645
H-Ser(Bzl)-Ome,hcL
CID 44630138
O-(Phenylmethyl)serine
CID 4573
Benzyl 2-amino-4-methylpentanoate
CID 102682
L-Valine benzyl ester hydrochloride
CID 11601206
Benzyl 2-aminopropanoate hydrochloride
CID 12210891

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate?
The IUPAC name of ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate (CID 10800857) is ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate.
What is the SMILES notation for ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate?
The canonical SMILES for ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate is CCOC(=O)C(COC)NOCc1ccccc1.
What is the InChIKey of ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate?
The InChIKey is UNQKNBZVCXCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-13(15)12(10-16-2)14-18-9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate?
ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-(phenylmethoxyamino)propanoate is sourced from PubChem (CID 10800857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).