2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid

C11H20N2O5 — CID 63645143

IUPAC2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
SMILESCC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(10(18)12-11(2,3)4)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCTVATTKPJIIKSS-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.24
Rot. Bonds6

About 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid

2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid (PubChem CID 63645143) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
PubChem CID63645143
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
SMILESCC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(10(18)12-11(2,3)4)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCTVATTKPJIIKSS-UHFFFAOYSA-N
XLogP-0.24
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925907
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79273911
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-tert-butylpropanamide
CID 54987970

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid (CID 63645143) is 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid is CC(C(=O)NC(C)(C)C)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid?
The InChIKey is CTVATTKPJIIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(10(18)12-11(2,3)4)13(5-8(14)15)6-9(16)17/h7H,5-6H2,1-4H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid?
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).