3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol

C11H24N2O5 — CID 89422176

IUPAC3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol
SMILESCCC(O)N(C)C.O=C(O)CCNCCC(=O)O
InChIInChI=1S/C6H11NO4.C5H13NO/c8-5(9)1-3-7-4-2-6(10)11;1-4-5(7)6(2)3/h7H,1-4H2,(H,8,9)(H,10,11);5,7H,4H2,1-3H3
InChIKeyOYNOZWVOQTYUDS-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.20
Rot. Bonds8

About 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol

3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol (PubChem CID 89422176) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol
PubChem CID89422176
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol
SMILESCCC(O)N(C)C.O=C(O)CCNCCC(=O)O
InChIInChI=1S/C6H11NO4.C5H13NO/c8-5(9)1-3-7-4-2-6(10)11;1-4-5(7)6(2)3/h7H,1-4H2,(H,8,9)(H,10,11);5,7H,4H2,1-3H3
InChIKeyOYNOZWVOQTYUDS-UHFFFAOYSA-N
XLogP-0.20
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
ethane;3-(propylamino)propanoic acid
CID 145416081
3-[2-[methyl((113C)methyl)amino](3,4-13C2)butanoylamino]propanoic acid
CID 135251446
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
3-(2-iodoethylamino)propanoic acid
CID 121405538
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-(pentylamino)propanoic acid
CID 28830294
butanedioic acid;1-(dimethylamino)ethanol
CID 87203618
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
3-(ethylamino)propanoic acid;methane;propanoic acid
CID 174356435
3-[2-hydroxybutyl(methyl)amino]propanoic acid
CID 60986786
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol (CID 89422176) is 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol is CCC(O)N(C)C.O=C(O)CCNCCC(=O)O.
What is the InChIKey of 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol?
The InChIKey is OYNOZWVOQTYUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.C5H13NO/c8-5(9)1-3-7-4-2-6(10)11;1-4-5(7)6(2)3/h7H,1-4H2,(H,8,9)(H,10,11);5,7H,4H2,1-3H3.
What are the key properties of 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol?
3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol has a molecular weight of 264.32 g/mol, XLogP of -0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol is sourced from PubChem (CID 89422176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).