(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid

C12H23NO3 — CID 97233847

IUPAC(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
SMILESCC[C@@](C)(NC(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-12(5,10(15)16)13-9(14)7-8-11(2,3)4/h6-8H2,1-5H3,(H,13,14)(H,15,16)/t12-/m1/s1
InChIKeyGZSVDMANDQEQNY-GFCCVEGCSA-N
MW229.32 g/mol
LogP2.18
Rot. Bonds5

About (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid

(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid (PubChem CID 97233847) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
PubChem CID97233847
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
SMILESCC[C@@](C)(NC(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-12(5,10(15)16)13-9(14)7-8-11(2,3)4/h6-8H2,1-5H3,(H,13,14)(H,15,16)/t12-/m1/s1
InChIKeyGZSVDMANDQEQNY-GFCCVEGCSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid?
The IUPAC name of (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid (CID 97233847) is (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid?
The canonical SMILES for (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid is CC[C@@](C)(NC(=O)CCC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid?
The InChIKey is GZSVDMANDQEQNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-12(5,10(15)16)13-9(14)7-8-11(2,3)4/h6-8H2,1-5H3,(H,13,14)(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid?
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 97233847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).