2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium

C8H19N2O3+ — CID 177466837

IUPAC2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium
SMILESCCC(=O)N[N+](C)(C)CC(O)CO
InChIInChI=1S/C8H18N2O3/c1-4-8(13)9-10(2,3)5-7(12)6-11/h7,11-12H,4-6H2,1-3H3/p+1
InChIKeyDROPCBIBWWSBAK-UHFFFAOYSA-O
MW191.25 g/mol
LogP-1.14
Rot. Bonds5

About 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium

2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium (PubChem CID 177466837) has the molecular formula C8H19N2O3+ and a molecular weight of 191.25 g/mol. Its IUPAC name is 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium.

Molecular Properties

Compound Name2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium
PubChem CID177466837
Molecular FormulaC8H19N2O3+
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium
SMILESCCC(=O)N[N+](C)(C)CC(O)CO
InChIInChI=1S/C8H18N2O3/c1-4-8(13)9-10(2,3)5-7(12)6-11/h7,11-12H,4-6H2,1-3H3/p+1
InChIKeyDROPCBIBWWSBAK-UHFFFAOYSA-O
XLogP-1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
N-(5,6-dihydroxy-2-oxohexyl)propanamide
CID 123335377
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-ethyl-3,4-dihydroxybutanamide
CID 18386927
(3S)-N-ethyl-3,4-dihydroxybutanamide
CID 11286550
N-(5,6-dihydroxy-3-methylhexyl)propanamide
CID 170744814
(3-carboxy-2-hydroxypropyl)-dimethyl-(propanoylcarbamoyl)azanium
CID 19736248
[(2R)-2-hydroxytetradecyl]-dimethyl-(2-methylprop-2-enoylamino)azanium
CID 97297263
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
(6S)-6,7-dihydroxyheptane-3,4-dione
CID 58618706
(2S)-N,N-diethyl-2,3-dihydroxypropan-1-amine oxide
CID 139123683

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium?
The IUPAC name of 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium (CID 177466837) is 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium.
What is the SMILES notation for 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium?
The canonical SMILES for 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium is CCC(=O)N[N+](C)(C)CC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium?
The InChIKey is DROPCBIBWWSBAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O3/c1-4-8(13)9-10(2,3)5-7(12)6-11/h7,11-12H,4-6H2,1-3H3/p+1.
What are the key properties of 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium?
2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium has a molecular weight of 191.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl-dimethyl-(propanoylamino)azanium is sourced from PubChem (CID 177466837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).