3-(ethylamino)propanoic acid;methane;propanoic acid

C9H21NO4 — CID 174356435

IUPAC3-(ethylamino)propanoic acid;methane;propanoic acid
SMILESC.CCC(=O)O.CCNCCC(=O)O
InChIInChI=1S/C5H11NO2.C3H6O2.CH4/c1-2-6-4-3-5(7)8;1-2-3(4)5;/h6H,2-4H2,1H3,(H,7,8);2H2,1H3,(H,4,5);1H4
InChIKeyZYBUGZYPQOPANI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.19
Rot. Bonds5

About 3-(ethylamino)propanoic acid;methane;propanoic acid

3-(ethylamino)propanoic acid;methane;propanoic acid (PubChem CID 174356435) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(ethylamino)propanoic acid;methane;propanoic acid.

Molecular Properties

Compound Name3-(ethylamino)propanoic acid;methane;propanoic acid
PubChem CID174356435
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name3-(ethylamino)propanoic acid;methane;propanoic acid
SMILESC.CCC(=O)O.CCNCCC(=O)O
InChIInChI=1S/C5H11NO2.C3H6O2.CH4/c1-2-6-4-3-5(7)8;1-2-3(4)5;/h6H,2-4H2,1H3,(H,7,8);2H2,1H3,(H,4,5);1H4
InChIKeyZYBUGZYPQOPANI-UHFFFAOYSA-N
XLogP1.19
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
10-(ethylamino)decanoic acid
CID 57308942
benzylbenzene;3-(ethylamino)propanoic acid
CID 142168070
calcium;N-ethylethanamine;hydride;propanoic acid
CID 174663325
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
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
N-ethylethanamine;nonanedioic acid
CID 14150788
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
3-(pentylamino)propanoic acid
CID 28830294

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propanoic acid;methane;propanoic acid?
The IUPAC name of 3-(ethylamino)propanoic acid;methane;propanoic acid (CID 174356435) is 3-(ethylamino)propanoic acid;methane;propanoic acid.
What is the SMILES notation for 3-(ethylamino)propanoic acid;methane;propanoic acid?
The canonical SMILES for 3-(ethylamino)propanoic acid;methane;propanoic acid is C.CCC(=O)O.CCNCCC(=O)O.
What is the InChIKey of 3-(ethylamino)propanoic acid;methane;propanoic acid?
The InChIKey is ZYBUGZYPQOPANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H6O2.CH4/c1-2-6-4-3-5(7)8;1-2-3(4)5;/h6H,2-4H2,1H3,(H,7,8);2H2,1H3,(H,4,5);1H4.
What are the key properties of 3-(ethylamino)propanoic acid;methane;propanoic acid?
3-(ethylamino)propanoic acid;methane;propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propanoic acid;methane;propanoic acid is sourced from PubChem (CID 174356435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).