(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid

C11H21NO3 — CID 56634448

IUPAC(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid
SMILESCC(C)CC(=O)CN[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)5-9(13)6-12-10(8(3)4)11(14)15/h7-8,10,12H,5-6H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyMFTFAENEWICCCQ-JTQLQIEISA-N
MW215.29 g/mol
LogP1.30
Rot. Bonds7

About (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid

(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid (PubChem CID 56634448) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid
PubChem CID56634448
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid
SMILESCC(C)CC(=O)CN[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)5-9(13)6-12-10(8(3)4)11(14)15/h7-8,10,12H,5-6H2,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyMFTFAENEWICCCQ-JTQLQIEISA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid (CID 56634448) is (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid is CC(C)CC(=O)CN[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid?
The InChIKey is MFTFAENEWICCCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)5-9(13)6-12-10(8(3)4)11(14)15/h7-8,10,12H,5-6H2,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid?
(2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(4-methyl-2-oxopentyl)amino]butanoic acid is sourced from PubChem (CID 56634448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).