2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid

C10H24N2O5S — CID 174659054

IUPAC2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid
SMILESCC(C(=O)O)N(C)C.CCNCCCS(=O)(=O)O
InChIInChI=1S/C5H13NO3S.C5H11NO2/c1-2-6-4-3-5-10(7,8)9;1-4(5(7)8)6(2)3/h6H,2-5H2,1H3,(H,7,8,9);4H,1-3H3,(H,7,8)
InChIKeyNEORLCJEFUFABG-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.11
Rot. Bonds7

About 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid

2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid (PubChem CID 174659054) has the molecular formula C10H24N2O5S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid
PubChem CID174659054
Molecular FormulaC10H24N2O5S
Molecular Weight284.38 g/mol
Exact Mass284.14
IUPAC Name2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid
SMILESCC(C(=O)O)N(C)C.CCNCCCS(=O)(=O)O
InChIInChI=1S/C5H13NO3S.C5H11NO2/c1-2-6-4-3-5-10(7,8)9;1-4(5(7)8)6(2)3/h6H,2-5H2,1H3,(H,7,8,9);4H,1-3H3,(H,7,8)
InChIKeyNEORLCJEFUFABG-UHFFFAOYSA-N
XLogP-0.11
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)propanoic acid;ethanesulfonic acid
CID 90221086
2-(dimethylamino)propanoic acid;methyl-bis(prop-2-enyl)-(3-sulfopropyl)azanium
CID 174486124
(2S)-3-methyl-2-(3-sulfopropylamino)pentanoic acid
CID 58931838
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-(dimethylamino)propanoic acid;dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-(3-sulfopropyl)azanium
CID 158248608
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
CID 155599481
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
CID 174787599
2-[3-(ethylamino)propylsulfonyl]ethanol
CID 19797796
2-(16-sulfohexadecylamino)acetic acid
CID 22833417
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
CID 162681421
CID 162681421

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid?
The IUPAC name of 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid (CID 174659054) is 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid?
The canonical SMILES for 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid is CC(C(=O)O)N(C)C.CCNCCCS(=O)(=O)O.
What is the InChIKey of 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid?
The InChIKey is NEORLCJEFUFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S.C5H11NO2/c1-2-6-4-3-5-10(7,8)9;1-4(5(7)8)6(2)3/h6H,2-5H2,1H3,(H,7,8,9);4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid?
2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid has a molecular weight of 284.38 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;3-(ethylamino)propane-1-sulfonic acid is sourced from PubChem (CID 174659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).