2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate

C12H24N2O3 — CID 170224107

IUPAC2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate
SMILESCCCC(C)(C)OC(=O)CNC(=O)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-6-7-11(2,3)17-9(15)8-14-10(16)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyAWXIDMDMZKYSMB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.96
Rot. Bonds6

About 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate

2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate (PubChem CID 170224107) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate.

Molecular Properties

Compound Name2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate
PubChem CID170224107
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate
SMILESCCCC(C)(C)OC(=O)CNC(=O)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-6-7-11(2,3)17-9(15)8-14-10(16)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16)
InChIKeyAWXIDMDMZKYSMB-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide;hydrochloride
CID 119271446
2-methylpentan-2-yl 3-iodopropanoate
CID 121429219
2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
CID 140985984
(4-amino-2-methylbutan-2-yl) hexanoate
CID 175123219
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
CID 23227587
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
2-amino-N-(2,2-diethoxyethyl)-2-methylpropanamide
CID 79548402
2-methyloctan-2-yl 2-bromoacetate
CID 166542416
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate?
The IUPAC name of 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate (CID 170224107) is 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate.
What is the SMILES notation for 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate?
The canonical SMILES for 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate is CCCC(C)(C)OC(=O)CNC(=O)C(C)(C)N.
What is the InChIKey of 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate?
The InChIKey is AWXIDMDMZKYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-7-11(2,3)17-9(15)8-14-10(16)12(4,5)13/h6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate?
2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate is sourced from PubChem (CID 170224107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).