ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate

C11H21N3O3 — CID 89292583

IUPACethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)[C@H](CC(C)C)NC
InChIInChI=1S/C11H21N3O3/c1-5-17-10(15)7-13-14-11(16)9(12-4)6-8(2)3/h7-9,12H,5-6H2,1-4H3,(H,14,16)/b13-7+/t9-/m0/s1
InChIKeyIRFNUOJDGHLTMF-PBJWJZLWSA-N
MW243.31 g/mol
LogP0.29
Rot. Bonds7

About ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate

ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate (PubChem CID 89292583) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
PubChem CID89292583
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)[C@H](CC(C)C)NC
InChIInChI=1S/C11H21N3O3/c1-5-17-10(15)7-13-14-11(16)9(12-4)6-8(2)3/h7-9,12H,5-6H2,1-4H3,(H,14,16)/b13-7+/t9-/m0/s1
InChIKeyIRFNUOJDGHLTMF-PBJWJZLWSA-N
XLogP0.29
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
(2S)-4-methyl-2-(methylamino)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentanamide
CID 146517704
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
ethyl (2E)-2-[di(propan-2-yloxy)phosphorylhydrazinylidene]acetate
CID 23264654
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]-4-methylpentanoate
CID 80547759
ethyl 4,6-dimethyl-3-oxoheptanoate
CID 174479071
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446
ethyl (E)-3-[4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]phenyl]prop-2-enoate
CID 42923418

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate (CID 89292583) is ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate is CCOC(=O)/C=N/NC(=O)[C@H](CC(C)C)NC.
What is the InChIKey of ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate?
The InChIKey is IRFNUOJDGHLTMF-PBJWJZLWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-17-10(15)7-13-14-11(16)9(12-4)6-8(2)3/h7-9,12H,5-6H2,1-4H3,(H,14,16)/b13-7+/t9-/m0/s1.
What are the key properties of ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate?
ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate has a molecular weight of 243.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate is sourced from PubChem (CID 89292583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).