2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid

C12H24N2O3 — CID 79269029

IUPAC2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC(C)N(C)C(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)13(6)10(15)7-14(8-11(16)17)12(3,4)5/h9H,7-8H2,1-6H3,(H,16,17)
InChIKeyKIIHXFRJFIMOTI-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.04
Rot. Bonds5

About 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid

2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 79269029) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID79269029
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC(C)N(C)C(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)13(6)10(15)7-14(8-11(16)17)12(3,4)5/h9H,7-8H2,1-6H3,(H,16,17)
InChIKeyKIIHXFRJFIMOTI-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
CID 79268934
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010606
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
CID 78814922
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 79269029) is 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid is CC(C)N(C)C(=O)CN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is KIIHXFRJFIMOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)13(6)10(15)7-14(8-11(16)17)12(3,4)5/h9H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 79269029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).