3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid

C13H24N2O6 — CID 175998278

IUPAC3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
SMILESCCOCCOCCC(=O)NC(C)C(=O)NCCC(=O)O
InChIInChI=1S/C13H24N2O6/c1-3-20-8-9-21-7-5-11(16)15-10(2)13(19)14-6-4-12(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyOYQGCZAGOVHWOV-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.47
Rot. Bonds12

About 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid

3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid (PubChem CID 175998278) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
PubChem CID175998278
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
SMILESCCOCCOCCC(=O)NC(C)C(=O)NCCC(=O)O
InChIInChI=1S/C13H24N2O6/c1-3-20-8-9-21-7-5-11(16)15-10(2)13(19)14-6-4-12(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyOYQGCZAGOVHWOV-UHFFFAOYSA-N
XLogP-0.47
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
CID 176965805
N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
CID 156877122
22-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-22-oxodocosanoic acid
CID 175629843
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 170549773

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid?
The IUPAC name of 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid (CID 175998278) is 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid?
The canonical SMILES for 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid is CCOCCOCCC(=O)NC(C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid?
The InChIKey is OYQGCZAGOVHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-3-20-8-9-21-7-5-11(16)15-10(2)13(19)14-6-4-12(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid?
3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid has a molecular weight of 304.34 g/mol, XLogP of -0.47, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 175998278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).