2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid

C12H23N3O4 — CID 79268934

IUPAC2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
SMILESCC(C)NC(=O)NC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(2)13-11(19)14-9(16)6-15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H2,13,14,16,19)
InChIKeyAMSLRPGWPHUSHM-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.41
Rot. Bonds5

About 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid

2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid (PubChem CID 79268934) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
PubChem CID79268934
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
SMILESCC(C)NC(=O)NC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-8(2)13-11(19)14-9(16)6-15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H2,13,14,16,19)
InChIKeyAMSLRPGWPHUSHM-UHFFFAOYSA-N
XLogP0.41
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid (CID 79268934) is 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid is CC(C)NC(=O)NC(=O)CN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid?
The InChIKey is AMSLRPGWPHUSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-8(2)13-11(19)14-9(16)6-15(7-10(17)18)12(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid?
2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 79268934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).