methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate

C13H25NO4 — CID 112603567

IUPACmethyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-11(15)8-18-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyWFQJTADKIUYEHU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.51
Rot. Bonds6

About methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate (PubChem CID 112603567) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
PubChem CID112603567
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-11(15)8-18-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyWFQJTADKIUYEHU-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclo[OAla-Val-D-OLeu-D-Val-OAla-Val-D-OLeu-D-Val-OAla-Val-D-OLeu-D-Val]
CID 122177535
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
Cereulide
CID 10057089
NCGC00386076-01_C19H33N3O5_2,8-Diisobutyl-5-methyl-1-oxa-4,7,10-triazacyclotetradecane-3,6,9,14-tetrone
CID 45359193
Methyl N-acetyl-L-leucinate
CID 6950952
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779
Angolide
CID 276480
CID 12442968
CID 12442968
Ethyl 2-acetamido-4-methylpentanoate
CID 322674
L-Isoseryl-L-leucine methyl ester hydrochloride (11b)
CID 129012241
methyl (2S)-2-[(2-acetamidoacetyl)amino]-4-methylpentanoate
CID 44298705
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 44322913

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate (CID 112603567) is methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)COC(C)(C)C.
What is the InChIKey of methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The InChIKey is WFQJTADKIUYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)7-10(12(16)17-6)14-11(15)8-18-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,14,15).
What are the key properties of methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate has a molecular weight of 259.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate is sourced from PubChem (CID 112603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).