2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid

C8H16N2O3 — CID 547865

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h9H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyNRMLUZKYISNRAH-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds3

About 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid

2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 547865) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID547865
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h9H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyNRMLUZKYISNRAH-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 547865) is 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid is CC(C)(N)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is NRMLUZKYISNRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h9H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid?
2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 547865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).