(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine

C15H27N5O2 — CID 144957396

IUPAC(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine
SMILESC/N=C(/C[C@@H](C(=O)O)C(C)(C)C)NN.Cc1ccc(N)nc1
InChIInChI=1S/C9H19N3O2.C6H8N2/c1-9(2,3)6(8(13)14)5-7(11-4)12-10;1-5-2-3-6(7)8-4-5/h6H,5,10H2,1-4H3,(H,11,12)(H,13,14);2-4H,1H3,(H2,7,8)/t6-;/m0./s1
InChIKeyPLULBHUFSJBWSH-RGMNGODLSA-N
MW309.41 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine

(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine (PubChem CID 144957396) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine.

Molecular Properties

Compound Name(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine
PubChem CID144957396
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine
SMILESC/N=C(/C[C@@H](C(=O)O)C(C)(C)C)NN.Cc1ccc(N)nc1
InChIInChI=1S/C9H19N3O2.C6H8N2/c1-9(2,3)6(8(13)14)5-7(11-4)12-10;1-5-2-3-6(7)8-4-5/h6H,5,10H2,1-4H3,(H,11,12)(H,13,14);2-4H,1H3,(H2,7,8)/t6-;/m0./s1
InChIKeyPLULBHUFSJBWSH-RGMNGODLSA-N
XLogP1.59
TPSA126.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine
CID 144957795
2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid
CID 144957454
formonitrile;5-methylpyridin-2-amine
CID 174974730
methyl 3,3-dimethyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoate
CID 75509410
3-methyl-2-[(5-methyl-2-pyridinyl)methylamino]butanoic acid
CID 81311715
5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine
CID 144683467
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
2-(5-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
CID 71743310
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
2-[(6-amino-3-pyridinyl)oxy]-2-methylpropanoic acid
CID 141325431
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
1-(6-methylimidazo[1,2-a]pyridin-3-yl)ethanone;5-methylpyridin-2-amine
CID 165175556

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine?
The IUPAC name of (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine (CID 144957396) is (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine.
What is the SMILES notation for (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine?
The canonical SMILES for (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine is C/N=C(/C[C@@H](C(=O)O)C(C)(C)C)NN.Cc1ccc(N)nc1.
What is the InChIKey of (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine?
The InChIKey is PLULBHUFSJBWSH-RGMNGODLSA-N. The full InChI is InChI=1S/C9H19N3O2.C6H8N2/c1-9(2,3)6(8(13)14)5-7(11-4)12-10;1-5-2-3-6(7)8-4-5/h6H,5,10H2,1-4H3,(H,11,12)(H,13,14);2-4H,1H3,(H2,7,8)/t6-;/m0./s1.
What are the key properties of (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine?
(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine has a molecular weight of 309.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine is sourced from PubChem (CID 144957396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).