3-(ethylamino)propanoic acid;hydrochloride

C5H12ClNO2 — CID 86759576

IUPAC3-(ethylamino)propanoic acid;hydrochloride
SMILESCCNCCC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-6-4-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyULSJFRCCWAEYDH-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.49
Rot. Bonds4

About 3-(ethylamino)propanoic acid;hydrochloride

3-(ethylamino)propanoic acid;hydrochloride (PubChem CID 86759576) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 3-(ethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(ethylamino)propanoic acid;hydrochloride
PubChem CID86759576
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name3-(ethylamino)propanoic acid;hydrochloride
SMILESCCNCCC(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-6-4-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChIKeyULSJFRCCWAEYDH-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174356435
10-(ethylamino)decanoic acid
CID 57308942
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3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
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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
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CID 28830294
ethane;3-(ethylamino)propanamide
CID 156743022

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(ethylamino)propanoic acid;hydrochloride (CID 86759576) is 3-(ethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(ethylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(ethylamino)propanoic acid;hydrochloride is CCNCCC(=O)O.Cl.
What is the InChIKey of 3-(ethylamino)propanoic acid;hydrochloride?
The InChIKey is ULSJFRCCWAEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-2-6-4-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H.
What are the key properties of 3-(ethylamino)propanoic acid;hydrochloride?
3-(ethylamino)propanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 86759576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).