2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid

C8H15N3O4 — CID 61265055

IUPAC2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)(N)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-8(2,9)7(15)11-3-5(12)10-4-6(13)14/h3-4,9H2,1-2H3,(H,10,12)(H,11,15)(H,13,14)
InChIKeyKYOHTFRMYIGTNT-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.96
Rot. Bonds5

About 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid

2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid (PubChem CID 61265055) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid
PubChem CID61265055
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)(N)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-8(2,9)7(15)11-3-5(12)10-4-6(13)14/h3-4,9H2,1-2H3,(H,10,12)(H,11,15)(H,13,14)
InChIKeyKYOHTFRMYIGTNT-UHFFFAOYSA-N
XLogP-1.96
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid (CID 61265055) is 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid is CC(C)(N)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid?
The InChIKey is KYOHTFRMYIGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-8(2,9)7(15)11-3-5(12)10-4-6(13)14/h3-4,9H2,1-2H3,(H,10,12)(H,11,15)(H,13,14).
What are the key properties of 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid has a molecular weight of 217.22 g/mol, XLogP of -1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).