2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid

C8H14N2O4 — CID 43356271

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
SMILESCC(=O)N(C)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C8H14N2O4/c1-6(11)9(2)4-7(12)10(3)5-8(13)14/h4-5H2,1-3H3,(H,13,14)
InChIKeyPMEWMJLTNTYNLX-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.99
Rot. Bonds4

About 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid

2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid (PubChem CID 43356271) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
PubChem CID43356271
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
SMILESCC(=O)N(C)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C8H14N2O4/c1-6(11)9(2)4-7(12)10(3)5-8(13)14/h4-5H2,1-3H3,(H,13,14)
InChIKeyPMEWMJLTNTYNLX-UHFFFAOYSA-N
XLogP-0.99
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid (CID 43356271) is 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid is CC(=O)N(C)CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid?
The InChIKey is PMEWMJLTNTYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(11)9(2)4-7(12)10(3)5-8(13)14/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid?
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid has a molecular weight of 202.21 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 43356271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).