methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate

C13H26N2O3 — CID 54928348

IUPACmethyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
SMILESCCCC(C)(N)C(=O)NC(C(=O)OC)C(C)CC
InChIInChI=1S/C13H26N2O3/c1-6-8-13(4,14)12(17)15-10(9(3)7-2)11(16)18-5/h9-10H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyYYLHPUZYSUHFGB-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.21
Rot. Bonds7

About methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate

methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate (PubChem CID 54928348) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
PubChem CID54928348
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
SMILESCCCC(C)(N)C(=O)NC(C(=O)OC)C(C)CC
InChIInChI=1S/C13H26N2O3/c1-6-8-13(4,14)12(17)15-10(9(3)7-2)11(16)18-5/h9-10H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyYYLHPUZYSUHFGB-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
2-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylpentanamide
CID 65049075
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62093373
4-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302746
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate (CID 54928348) is methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate is CCCC(C)(N)C(=O)NC(C(=O)OC)C(C)CC.
What is the InChIKey of methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate?
The InChIKey is YYLHPUZYSUHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-8-13(4,14)12(17)15-10(9(3)7-2)11(16)18-5/h9-10H,6-8,14H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate?
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate has a molecular weight of 258.36 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 54928348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).