methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate

C12H25NO3 — CID 65338075

IUPACmethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)C(C)(C)O
InChIInChI=1S/C12H25NO3/c1-8(2)7-10(11(14)16-6)13-9(3)12(4,5)15/h8-10,13,15H,7H2,1-6H3
InChIKeyWVFFVRSONMICSH-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.32
Rot. Bonds6

About methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate

methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate (PubChem CID 65338075) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
PubChem CID65338075
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)C(C)(C)O
InChIInChI=1S/C12H25NO3/c1-8(2)7-10(11(14)16-6)13-9(3)12(4,5)15/h8-10,13,15H,7H2,1-6H3
InChIKeyWVFFVRSONMICSH-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
CID 102868458
methyl (2S)-2-[[(2R)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-methylpentanoate
CID 45076910
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
CID 104644259
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate (CID 65338075) is methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(C)C(C)(C)O.
What is the InChIKey of methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate?
The InChIKey is WVFFVRSONMICSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-8(2)7-10(11(14)16-6)13-9(3)12(4,5)15/h8-10,13,15H,7H2,1-6H3.
What are the key properties of methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate?
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 65338075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).