2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid

C10H20N2O3 — CID 63065911

IUPAC2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
SMILESCNC(=O)C(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)5-12(6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyIHRKVJJSIZHYFR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.16
Rot. Bonds6

About 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid

2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065911) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065911
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
SMILESCNC(=O)C(C)N(CC(=O)O)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)5-12(6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyIHRKVJJSIZHYFR-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43442200
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
2-[bis(2-methylpropyl)amino]propanehydrazide
CID 63585398
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid (CID 63065911) is 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid is CNC(=O)C(C)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is IHRKVJJSIZHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-12(6-9(13)14)8(3)10(15)11-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).