2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid

C10H16F3NO6 — CID 87845497

IUPAC2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO4.C2HF3O2/c1-6(2)3-9(4-7(10)11)5-8(12)13;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);(H,6,7)
InChIKeyMGRQLYCKGYLENE-UHFFFAOYSA-N
MW303.23 g/mol
LogP0.75
Rot. Bonds6

About 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid

2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 87845497) has the molecular formula C10H16F3NO6 and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID87845497
Molecular FormulaC10H16F3NO6
Molecular Weight303.23 g/mol
Exact Mass303.09
IUPAC Name2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO4.C2HF3O2/c1-6(2)3-9(4-7(10)11)5-8(12)13;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);(H,6,7)
InChIKeyMGRQLYCKGYLENE-UHFFFAOYSA-N
XLogP0.75
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diisobutylamino)acetic acid
CID 239817
2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 63065927
2-[Tert-butyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79269471
Diethylamino-acetic acid trifluoroacetate
CID 86640294
2-[2-Methylpropyl-[2-oxo-2-(2,2,2-trifluoroacetyl)oxyethyl]amino]acetic acid
CID 87845500
2-[Methyl(propyl)amino]acetic acid;1-(trifluoromethoxy)butane
CID 172334528
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium bromide
CID 172743143
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium
CID 172743144
Carboxymethyl-(1,1-difluoroethyl)-diethylazanium bromide
CID 172757821
Carboxymethyl-(1,1-difluoroethyl)-diethylazanium
CID 172757822
Carboxymethyl-(1,1-difluoropropyl)-dipropylazanium bromide
CID 172792872
Carboxymethyl-(1,1-difluoropropyl)-dipropylazanium
CID 172792873

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid (CID 87845497) is 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid is CC(C)CN(CC(=O)O)CC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MGRQLYCKGYLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C2HF3O2/c1-6(2)3-9(4-7(10)11)5-8(12)13;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);(H,6,7).
What are the key properties of 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid?
2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 303.23 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87845497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).