(2S)-2-amino-3-hydroxypropanimidate;triethylazanium

C9H23N3O2 — CID 141039034

IUPAC(2S)-2-amino-3-hydroxypropanimidate;triethylazanium
SMILESCC[NH+](CC)CC.[H]/N=C(\[O-])[C@@H](N)CO
InChIInChI=1S/C6H15N.C3H8N2O2/c1-4-7(5-2)6-3;4-2(1-6)3(5)7/h4-6H2,1-3H3;2,6H,1,4H2,(H2,5,7)/t;2-/m.0/s1
InChIKeyHNWSRKUZESWZLV-WNQIDUERSA-N
MW205.30 g/mol
LogP-2.43
Rot. Bonds5

About (2S)-2-amino-3-hydroxypropanimidate;triethylazanium

(2S)-2-amino-3-hydroxypropanimidate;triethylazanium (PubChem CID 141039034) has the molecular formula C9H23N3O2 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanimidate;triethylazanium.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanimidate;triethylazanium
PubChem CID141039034
Molecular FormulaC9H23N3O2
Molecular Weight205.30 g/mol
Exact Mass205.18
IUPAC Name(2S)-2-amino-3-hydroxypropanimidate;triethylazanium
SMILESCC[NH+](CC)CC.[H]/N=C(\[O-])[C@@H](N)CO
InChIInChI=1S/C6H15N.C3H8N2O2/c1-4-7(5-2)6-3;4-2(1-6)3(5)7/h4-6H2,1-3H3;2,6H,1,4H2,(H2,5,7)/t;2-/m.0/s1
InChIKeyHNWSRKUZESWZLV-WNQIDUERSA-N
XLogP-2.43
TPSA97.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-hydroxypropanoate
CID 5460788
2-ethylbutanimidate;hydrochloride
CID 19082418
sodium 2-amino-3-hydroxypropanoate
CID 23676048
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(2S)-2-amino-3-hydroxypropanoate;2-hydroxyethyl(trimethyl)azanium
CID 87276262
1-aminoethanesulfonate;triethylazanium
CID 141340656
hydrogen carbonate;bis(triethylazanium);formate
CID 159663993
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
CID 129151381
Triethylammonium borohydride
CID 6365648
2-(2-aminoethylamino)ethanol;tris(triethylazanium);triacetate
CID 158624766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanimidate;triethylazanium?
The IUPAC name of (2S)-2-amino-3-hydroxypropanimidate;triethylazanium (CID 141039034) is (2S)-2-amino-3-hydroxypropanimidate;triethylazanium.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanimidate;triethylazanium?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanimidate;triethylazanium is CC[NH+](CC)CC.[H]/N=C(\[O-])[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanimidate;triethylazanium?
The InChIKey is HNWSRKUZESWZLV-WNQIDUERSA-N. The full InChI is InChI=1S/C6H15N.C3H8N2O2/c1-4-7(5-2)6-3;4-2(1-6)3(5)7/h4-6H2,1-3H3;2,6H,1,4H2,(H2,5,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanimidate;triethylazanium?
(2S)-2-amino-3-hydroxypropanimidate;triethylazanium has a molecular weight of 205.30 g/mol, XLogP of -2.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanimidate;triethylazanium is sourced from PubChem (CID 141039034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).