(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid

C11H21NO3 — CID 22214799

IUPAC(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid
SMILESCC(C)CC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyFMMALDPKAFKRAR-VIFPVBQESA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid

(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid (PubChem CID 22214799) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid
PubChem CID22214799
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid
SMILESCC(C)CC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyFMMALDPKAFKRAR-VIFPVBQESA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid (CID 22214799) is (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid is CC(C)CC(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid?
The InChIKey is FMMALDPKAFKRAR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)5-9(11(14)15)12-10(13)6-8(3)4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid?
(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(3-methylbutanoylamino)pentanoic acid is sourced from PubChem (CID 22214799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).