4-methoxy-2-(2-methylpentanoylamino)butanoic acid

C11H21NO4 — CID 62478938

IUPAC4-methoxy-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-8(2)10(13)12-9(11(14)15)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDJEHGLPSVUYJKA-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds8

About 4-methoxy-2-(2-methylpentanoylamino)butanoic acid

4-methoxy-2-(2-methylpentanoylamino)butanoic acid (PubChem CID 62478938) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-methylpentanoylamino)butanoic acid
PubChem CID62478938
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-methoxy-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-8(2)10(13)12-9(11(14)15)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDJEHGLPSVUYJKA-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-[(2-acetamido-3-methylbutanoyl)amino]-4-methoxybutanoic acid
CID 62480176
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylpentanoylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(2-methylpentanoylamino)butanoic acid (CID 62478938) is 4-methoxy-2-(2-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(2-methylpentanoylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(2-methylpentanoylamino)butanoic acid is CCCC(C)C(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-(2-methylpentanoylamino)butanoic acid?
The InChIKey is DJEHGLPSVUYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-8(2)10(13)12-9(11(14)15)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-2-(2-methylpentanoylamino)butanoic acid?
4-methoxy-2-(2-methylpentanoylamino)butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 62478938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).