2-[(2-aminoacetyl)-(111C)methylamino]acetic acid

C5H10N2O3 — CID 24971238

IUPAC2-[(2-aminoacetyl)-(111C)methylamino]acetic acid
SMILES[11CH3]N(CC(=O)O)C(=O)CN
InChIInChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i1-1
InChIKeyVYAMLSCELQQRAE-BJUDXGSMSA-N
MW145.15 g/mol
LogP-1.51
Rot. Bonds3

About 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid

2-[(2-aminoacetyl)-(111C)methylamino]acetic acid (PubChem CID 24971238) has the molecular formula C5H10N2O3 and a molecular weight of 145.15 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-(111C)methylamino]acetic acid
PubChem CID24971238
Molecular FormulaC5H10N2O3
Molecular Weight145.15 g/mol
Exact Mass145.08
IUPAC Name2-[(2-aminoacetyl)-(111C)methylamino]acetic acid
SMILES[11CH3]N(CC(=O)O)C(=O)CN
InChIInChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i1-1
InChIKeyVYAMLSCELQQRAE-BJUDXGSMSA-N
XLogP-1.51
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid (CID 24971238) is 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid is [11CH3]N(CC(=O)O)C(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid?
The InChIKey is VYAMLSCELQQRAE-BJUDXGSMSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i1-1.
What are the key properties of 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid?
2-[(2-aminoacetyl)-(111C)methylamino]acetic acid has a molecular weight of 145.15 g/mol, XLogP of -1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-(111C)methylamino]acetic acid is sourced from PubChem (CID 24971238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).