2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid

C15H27NO7 — CID 167723316

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid
SMILESC=CCOC(=O)NCCC(CCOCCOCCOC)C(=O)O
InChIInChI=1S/C15H27NO7/c1-3-7-23-15(19)16-6-4-13(14(17)18)5-8-21-11-12-22-10-9-20-2/h3,13H,1,4-12H2,2H3,(H,16,19)(H,17,18)
InChIKeyHGUDCUSQSNCLSG-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.06
Rot. Bonds15

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid (PubChem CID 167723316) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid
PubChem CID167723316
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid
SMILESC=CCOC(=O)NCCC(CCOCCOCCOC)C(=O)O
InChIInChI=1S/C15H27NO7/c1-3-7-23-15(19)16-6-4-13(14(17)18)5-8-21-11-12-22-10-9-20-2/h3,13H,1,4-12H2,2H3,(H,16,19)(H,17,18)
InChIKeyHGUDCUSQSNCLSG-UHFFFAOYSA-N
XLogP1.06
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic 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

prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate
CID 161020444
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
prop-2-enyl N-[2-(3-methoxypropanoylamino)ethyl]carbamate
CID 108574174
2-(2-methoxyethoxymethyl)hex-5-enoic acid
CID 146545339
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-(methoxymethyl)hex-5-enoic acid
CID 146545630
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid (CID 167723316) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid is C=CCOC(=O)NCCC(CCOCCOCCOC)C(=O)O.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid?
The InChIKey is HGUDCUSQSNCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c1-3-7-23-15(19)16-6-4-13(14(17)18)5-8-21-11-12-22-10-9-20-2/h3,13H,1,4-12H2,2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid has a molecular weight of 333.38 g/mol, XLogP of 1.06, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(prop-2-enoxycarbonylamino)butanoic acid is sourced from PubChem (CID 167723316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).