(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid

C12H23NO3 — CID 10775770

IUPAC(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)CC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,3)8(10(15)16)7-9(14)13-12(4,5)6/h8H,7H2,1-6H3,(H,13,14)(H,15,16)
InChIKeyWYLKIJGDKQMQHC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.04
Rot. Bonds3

About (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid

(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid (PubChem CID 10775770) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid
PubChem CID10775770
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)NC(=O)CC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,3)8(10(15)16)7-9(14)13-12(4,5)6/h8H,7H2,1-6H3,(H,13,14)(H,15,16)
InChIKeyWYLKIJGDKQMQHC-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid (CID 10775770) is (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid is CC(C)(C)NC(=O)CC(C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid?
The InChIKey is WYLKIJGDKQMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)8(10(15)16)7-9(14)13-12(4,5)6/h8H,7H2,1-6H3,(H,13,14)(H,15,16).
What are the key properties of (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid?
(2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 10775770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).