methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate

C10H20N2O3 — CID 106096264

IUPACmethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate
SMILESCOC(=O)CC(C)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O3/c1-7(5-9(14)15-4)12-10(2,3)6-8(11)13/h7,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyKQVOVWVACXBEGQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds6

About methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate

methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate (PubChem CID 106096264) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate
PubChem CID106096264
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate
SMILESCOC(=O)CC(C)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O3/c1-7(5-9(14)15-4)12-10(2,3)6-8(11)13/h7,12H,5-6H2,1-4H3,(H2,11,13)
InChIKeyKQVOVWVACXBEGQ-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
methyl 3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]butanoate
CID 103952300
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3R)-3-(phosphanylamino)butanoate
CID 59118777
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
CID 59945611
CID 59945611
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl 3-(3-amino-3-oxopropyl)sulfinylbutanoate
CID 66115093

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate?
The IUPAC name of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate (CID 106096264) is methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate?
The canonical SMILES for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate is COC(=O)CC(C)NC(C)(C)CC(N)=O.
What is the InChIKey of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate?
The InChIKey is KQVOVWVACXBEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(5-9(14)15-4)12-10(2,3)6-8(11)13/h7,12H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate?
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate is sourced from PubChem (CID 106096264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).