2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid

C11H21NO4 — CID 119188229

IUPAC2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCOCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)5-9(11(14)15)12-10(13)8(3)6-16-4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyTUODCOHUHYVWSM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.88
Rot. Bonds7

About 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid

2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 119188229) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID119188229
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCOCC(C)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)5-9(11(14)15)12-10(13)8(3)6-16-4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyTUODCOHUHYVWSM-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
ethane;2-[(2-fluoro-2-hydroxyacetyl)amino]-4-methylpentanoic acid
CID 143459468
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
(2R)-2-[(3-amino-2-methoxypropanoyl)amino]-4-methylpentanoic acid
CID 106112659
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
(2S)-2-(2-bromoethoxycarbonylamino)-4-methylpentanoic acid
CID 71395825
(2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoyloxycarbonylamino]-4-methylpentanoic acid
CID 101271395
(2S)-4-methyl-2-(2-methylsulfanylpropanoylamino)pentanoic acid
CID 119361586

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid (CID 119188229) is 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid is COCC(C)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is TUODCOHUHYVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)5-9(11(14)15)12-10(13)8(3)6-16-4/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid?
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).