2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid

C8H16N2O3 — CID 7130737

IUPAC2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid
SMILESCC(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)9-7(11)4-10(3)5-8(12)13/h6H,4-5H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyHREQZINDTWIOAI-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.47
Rot. Bonds5

About 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid (PubChem CID 7130737) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid
PubChem CID7130737
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid
SMILESCC(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)9-7(11)4-10(3)5-8(12)13/h6H,4-5H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyHREQZINDTWIOAI-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid (CID 7130737) is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid is CC(C)NC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid?
The InChIKey is HREQZINDTWIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)9-7(11)4-10(3)5-8(12)13/h6H,4-5H2,1-3H3,(H,9,11)(H,12,13).
What are the key properties of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 7130737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).