methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate

C10H19NO4 — CID 85353030

IUPACmethyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)O
InChIInChI=1S/C10H19NO4/c1-6(2)5-8(10(14)15-4)11-9(13)7(3)12/h6-8,12H,5H2,1-4H3,(H,11,13)
InChIKeyIMMMLVFLAWEVPV-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.07
Rot. Bonds5

About methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate

methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate (PubChem CID 85353030) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
PubChem CID85353030
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C(C)O
InChIInChI=1S/C10H19NO4/c1-6(2)5-8(10(14)15-4)11-9(13)7(3)12/h6-8,12H,5H2,1-4H3,(H,11,13)
InChIKeyIMMMLVFLAWEVPV-UHFFFAOYSA-N
XLogP0.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832
methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
CID 58691175
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
2-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid
CID 10390668
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate (CID 85353030) is methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)C(C)O.
What is the InChIKey of methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate?
The InChIKey is IMMMLVFLAWEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)5-8(10(14)15-4)11-9(13)7(3)12/h6-8,12H,5H2,1-4H3,(H,11,13).
What are the key properties of methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate?
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate has a molecular weight of 217.26 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate is sourced from PubChem (CID 85353030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).