(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate

C9H17NO3 — CID 163587095

IUPAC(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)N
InChIInChI=1S/C9H17NO3/c1-8(2,3)6(11)13-7(12)9(4,5)10/h10H2,1-5H3
InChIKeyGMJSOJNFYWRNCU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.84
Rot. Bonds1

About (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate

(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate (PubChem CID 163587095) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
PubChem CID163587095
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)N
InChIInChI=1S/C9H17NO3/c1-8(2,3)6(11)13-7(12)9(4,5)10/h10H2,1-5H3
InChIKeyGMJSOJNFYWRNCU-UHFFFAOYSA-N
XLogP0.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate (CID 163587095) is (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(=O)C(C)(C)N.
What is the InChIKey of (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate?
The InChIKey is GMJSOJNFYWRNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,3)6(11)13-7(12)9(4,5)10/h10H2,1-5H3.
What are the key properties of (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate?
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 163587095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).