methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate

C8H18N2O2 — CID 166823747

IUPACmethyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
SMILESCNN[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C8H18N2O2/c1-6(2)5-7(10-9-3)8(11)12-4/h6-7,9-10H,5H2,1-4H3/t7-/m1/s1
InChIKeyGUNNHMXUDYAKJG-SSDOTTSWSA-N
MW174.24 g/mol
LogP0.30
Rot. Bonds5

About methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate

methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate (PubChem CID 166823747) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
PubChem CID166823747
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
SMILESCNN[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C8H18N2O2/c1-6(2)5-7(10-9-3)8(11)12-4/h6-7,9-10H,5H2,1-4H3/t7-/m1/s1
InChIKeyGUNNHMXUDYAKJG-SSDOTTSWSA-N
XLogP0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
(3S)-4-methoxy-3-(2-methylhydrazinyl)-4-oxobutanoic acid
CID 91193744
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-4-methylpentanoate
CID 11667830
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate (CID 166823747) is methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate is CNN[C@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate?
The InChIKey is GUNNHMXUDYAKJG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)5-7(10-9-3)8(11)12-4/h6-7,9-10H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate?
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate has a molecular weight of 174.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate is sourced from PubChem (CID 166823747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).