(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium

C8H16N2O2Y-2 — CID 59007239

IUPAC(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium
SMILES[CH2-]CN([CH2-])C(=O)[C@H](CO)N(C)C.[Y]
InChIInChI=1S/C8H16N2O2.Y/c1-5-10(4)8(12)7(6-11)9(2)3;/h7,11H,1,4-6H2,2-3H3;/q-2;/t7-;/m0./s1
InChIKeyWQTLHWJNBMIDPY-FJXQXJEOSA-N
MW261.13 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium

(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium (PubChem CID 59007239) has the molecular formula C8H16N2O2Y-2 and a molecular weight of 261.13 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium
PubChem CID59007239
Molecular FormulaC8H16N2O2Y-2
Molecular Weight261.13 g/mol
Exact Mass261.03
IUPAC Name(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium
SMILES[CH2-]CN([CH2-])C(=O)[C@H](CO)N(C)C.[Y]
InChIInChI=1S/C8H16N2O2.Y/c1-5-10(4)8(12)7(6-11)9(2)3;/h7,11H,1,4-6H2,2-3H3;/q-2;/t7-;/m0./s1
InChIKeyWQTLHWJNBMIDPY-FJXQXJEOSA-N
XLogP-0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
2-(dimethylamino)-3-hydroxypropanoic acid;hydrochloride
CID 87309303
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
2-[acetyl(propyl)amino]-3-hydroxypropanoic acid
CID 104711278
2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
CID 115186413
2,2-bis(dimethylamino)ethanol
CID 57031094
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
2-(dimethylamino)-4-methyl-N-propan-2-ylpentanamide
CID 170685859
3-(dimethylamino)-4-hydroxybutanamide
CID 87905494
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl 2-(dimethylamino)butanoate
CID 14644900

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium?
The IUPAC name of (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium (CID 59007239) is (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium?
The canonical SMILES for (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium is [CH2-]CN([CH2-])C(=O)[C@H](CO)N(C)C.[Y].
What is the InChIKey of (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium?
The InChIKey is WQTLHWJNBMIDPY-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O2.Y/c1-5-10(4)8(12)7(6-11)9(2)3;/h7,11H,1,4-6H2,2-3H3;/q-2;/t7-;/m0./s1.
What are the key properties of (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium?
(2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium has a molecular weight of 261.13 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-ethyl-3-hydroxy-N-methanidylpropanamide;yttrium is sourced from PubChem (CID 59007239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).