3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium

C10H16FmNO7- — CID 172576763

IUPAC3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium
SMILESO=[C-]NC(COCCC(=O)O)COCCC(=O)O.[Fm]
InChIInChI=1S/C10H16NO7.Fm/c12-7-11-8(5-17-3-1-9(13)14)6-18-4-2-10(15)16;/h8H,1-6H2,(H,11,12)(H,13,14)(H,15,16);/q-1;
InChIKeyZVSTVDVYPGEARQ-UHFFFAOYSA-N
MW519.24 g/mol
LogP-1.01
Rot. Bonds12

About 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium

3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium (PubChem CID 172576763) has the molecular formula C10H16FmNO7- and a molecular weight of 519.24 g/mol. Its IUPAC name is 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium.

Molecular Properties

Compound Name3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium
PubChem CID172576763
Molecular FormulaC10H16FmNO7-
Molecular Weight519.24 g/mol
Exact Mass519.19
IUPAC Name3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium
SMILESO=[C-]NC(COCCC(=O)O)COCCC(=O)O.[Fm]
InChIInChI=1S/C10H16NO7.Fm/c12-7-11-8(5-17-3-1-9(13)14)6-18-4-2-10(15)16;/h8H,1-6H2,(H,11,12)(H,13,14)(H,15,16);/q-1;
InChIKeyZVSTVDVYPGEARQ-UHFFFAOYSA-N
XLogP-1.01
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium 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-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
3-(2-methylpropoxy)propanoic acid
CID 15033462
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
fermium;[[1-hydroxy-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propan-2-yl]amino]methanone
CID 167509076
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
2-carboxyethoxymethyl(triphenyl)phosphanium
CID 20558069
3-(2-nitrobutoxy)propanoic acid
CID 88894347
3-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 167163889
3-[2-[2-(diaminoamino)ethoxy]ethoxy]propanoic acid
CID 122463166
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium?
The IUPAC name of 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium (CID 172576763) is 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium.
What is the SMILES notation for 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium?
The canonical SMILES for 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium is O=[C-]NC(COCCC(=O)O)COCCC(=O)O.[Fm].
What is the InChIKey of 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium?
The InChIKey is ZVSTVDVYPGEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO7.Fm/c12-7-11-8(5-17-3-1-9(13)14)6-18-4-2-10(15)16;/h8H,1-6H2,(H,11,12)(H,13,14)(H,15,16);/q-1;.
What are the key properties of 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium?
3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium has a molecular weight of 519.24 g/mol, XLogP of -1.01, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-carboxyethoxy)-2-(oxomethylamino)propoxy]propanoic acid;fermium is sourced from PubChem (CID 172576763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).