methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate

C10H19F2NO2 — CID 102868458

IUPACmethyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)C(F)F
InChIInChI=1S/C10H19F2NO2/c1-6(2)5-8(10(14)15-4)13-7(3)9(11)12/h6-9,13H,5H2,1-4H3
InChIKeyCESUQLNKVKEMME-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.82
Rot. Bonds6

About methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate

methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate (PubChem CID 102868458) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
PubChem CID102868458
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Namemethyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)C(F)F
InChIInChI=1S/C10H19F2NO2/c1-6(2)5-8(10(14)15-4)13-7(3)9(11)12/h6-9,13H,5H2,1-4H3
InChIKeyCESUQLNKVKEMME-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoic acid
CID 102869392
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
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 2-(1,1-difluoropropan-2-ylamino)propanoate
CID 102869349
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl (2S)-2-[(2-deuterioacetyl)amino]-4-methylpentanoate
CID 57128770

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate (CID 102868458) is methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NC(C)C(F)F.
What is the InChIKey of methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate?
The InChIKey is CESUQLNKVKEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-6(2)5-8(10(14)15-4)13-7(3)9(11)12/h6-9,13H,5H2,1-4H3.
What are the key properties of methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate?
methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate has a molecular weight of 223.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate is sourced from PubChem (CID 102868458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).