(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid

C11H21NO3 — CID 6426753

IUPAC(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyOLZMLDKOPZADGZ-QMMMGPOBSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds4

About (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid

(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid (PubChem CID 6426753) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid
PubChem CID6426753
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyOLZMLDKOPZADGZ-QMMMGPOBSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid (CID 6426753) is (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid?
The InChIKey is OLZMLDKOPZADGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)6-8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid?
(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 6426753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).