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

C11H21NO4 — CID 107564514

IUPAC(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-6-8(10(14)15)12-9(13)7-16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyPSFSLEZHVOXHCA-QMMMGPOBSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds6

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

(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid (PubChem CID 107564514) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
PubChem CID107564514
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-6-8(10(14)15)12-9(13)7-16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyPSFSLEZHVOXHCA-QMMMGPOBSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 112601946
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 107563565
(2S)-2-[[2-(dimethylamino)acetyl]amino]pentanoic acid
CID 107564391
(2R)-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pentanoic acid
CID 107564991
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
(2R)-2-[(2-acetamidoacetyl)amino]pentanoic acid
CID 107562837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid (CID 107564514) is (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)COC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
The InChIKey is PSFSLEZHVOXHCA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-6-8(10(14)15)12-9(13)7-16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid?
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).