methyl 2-amino-4-[di(propan-2-yl)amino]butanoate

C11H24N2O2 — CID 12833060

IUPACmethyl 2-amino-4-[di(propan-2-yl)amino]butanoate
SMILESCOC(=O)C(N)CCN(C(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)13(9(3)4)7-6-10(12)11(14)15-5/h8-10H,6-7,12H2,1-5H3
InChIKeyAVXBFQNPKALZRU-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.00
Rot. Bonds6

About methyl 2-amino-4-[di(propan-2-yl)amino]butanoate

methyl 2-amino-4-[di(propan-2-yl)amino]butanoate (PubChem CID 12833060) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is methyl 2-amino-4-[di(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[di(propan-2-yl)amino]butanoate
PubChem CID12833060
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namemethyl 2-amino-4-[di(propan-2-yl)amino]butanoate
SMILESCOC(=O)C(N)CCN(C(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)13(9(3)4)7-6-10(12)11(14)15-5/h8-10H,6-7,12H2,1-5H3
InChIKeyAVXBFQNPKALZRU-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl 2-aminopentanoate
CID 533890
methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
methyl 2-amino-4-[(3-amino-4-methoxy-4-oxobutyl)-(4-hydroxybutyl)amino]butanoate
CID 59716022
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl (2R)-2-amino-4-propan-2-yloxybutanoate
CID 94979694
methyl (2S)-2-amino-6-methyl-5-oxoheptanoate
CID 58666346
methyl (2S)-2-amino-4-propan-2-yloxybutanoate
CID 94979693
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[di(propan-2-yl)amino]butanoate?
The IUPAC name of methyl 2-amino-4-[di(propan-2-yl)amino]butanoate (CID 12833060) is methyl 2-amino-4-[di(propan-2-yl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-4-[di(propan-2-yl)amino]butanoate?
The canonical SMILES for methyl 2-amino-4-[di(propan-2-yl)amino]butanoate is COC(=O)C(N)CCN(C(C)C)C(C)C.
What is the InChIKey of methyl 2-amino-4-[di(propan-2-yl)amino]butanoate?
The InChIKey is AVXBFQNPKALZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)13(9(3)4)7-6-10(12)11(14)15-5/h8-10H,6-7,12H2,1-5H3.
What are the key properties of methyl 2-amino-4-[di(propan-2-yl)amino]butanoate?
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate has a molecular weight of 216.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[di(propan-2-yl)amino]butanoate is sourced from PubChem (CID 12833060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).