2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid

C12H21NO3 — CID 82821692

IUPAC2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid
SMILESCC(C)(C(=O)O)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-10(2,9(15)16)8(14)13-7-11(3,4)12(7,5)6/h7H,1-6H3,(H,13,14)(H,15,16)
InChIKeyKVQYJRKINXTBQI-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds3

About 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid

2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid (PubChem CID 82821692) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid
PubChem CID82821692
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid
SMILESCC(C)(C(=O)O)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-10(2,9(15)16)8(14)13-7-11(3,4)12(7,5)6/h7H,1-6H3,(H,13,14)(H,15,16)
InChIKeyKVQYJRKINXTBQI-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid (CID 82821692) is 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid is CC(C)(C(=O)O)C(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid?
The InChIKey is KVQYJRKINXTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2,9(15)16)8(14)13-7-11(3,4)12(7,5)6/h7H,1-6H3,(H,13,14)(H,15,16).
What are the key properties of 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid?
2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoic acid is sourced from PubChem (CID 82821692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).