methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate

C12H24N2O3 — CID 113266912

IUPACmethyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C(N)CC(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-9(13)10(15)14-7-12(3,4)11(16)17-5/h8-9H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyABZFSXFZEVTGLZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.68
Rot. Bonds6

About methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate

methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate (PubChem CID 113266912) has the molecular formula C12H24N2O3 and a molecular weight of 244.34 g/mol. Its IUPAC name is methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
PubChem CID113266912
Molecular FormulaC12H24N2O3
Molecular Weight244.34 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C(N)CC(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)6-9(13)10(15)14-7-12(3,4)11(16)17-5/h8-9H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyABZFSXFZEVTGLZ-UHFFFAOYSA-N
XLogP0.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
CID 22689913
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
CID 143114753
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate (CID 113266912) is methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)C(N)CC(C)C.
What is the InChIKey of methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate?
The InChIKey is ABZFSXFZEVTGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)6-9(13)10(15)14-7-12(3,4)11(16)17-5/h8-9H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate has a molecular weight of 244.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 113266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).