4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid

C12H23NO4 — CID 112601946

IUPAC4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(2)6-9(11(15)16)13-10(14)7-17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyQQAMVYBUQNFBIS-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.42
Rot. Bonds6

About 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid

4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid (PubChem CID 112601946) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
PubChem CID112601946
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(2)6-9(11(15)16)13-10(14)7-17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16)
InChIKeyQQAMVYBUQNFBIS-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 103940335
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 107564514
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
(2S)-2-(3-ethylpentanoylamino)-4-methylpentanoic acid
CID 119361583
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
(3S)-5-methyl-3-[[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]methyl]hexanoic acid
CID 103940347
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid (CID 112601946) is 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)COC(C)(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The InChIKey is QQAMVYBUQNFBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(2)6-9(11(15)16)13-10(14)7-17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid is sourced from PubChem (CID 112601946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).