4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid

C16H29NO5 — CID 120689181

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
SMILESCC(C(=O)NC(CCOC(C)(C)C)C(=O)O)C1CCOCC1
InChIInChI=1S/C16H29NO5/c1-11(12-5-8-21-9-6-12)14(18)17-13(15(19)20)7-10-22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLMISYHIMRUWXBT-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.82
Rot. Bonds7

About 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid

4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid (PubChem CID 120689181) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
PubChem CID120689181
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
SMILESCC(C(=O)NC(CCOC(C)(C)C)C(=O)O)C1CCOCC1
InChIInChI=1S/C16H29NO5/c1-11(12-5-8-21-9-6-12)14(18)17-13(15(19)20)7-10-22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyLMISYHIMRUWXBT-UHFFFAOYSA-N
XLogP1.82
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid with MolForge

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Related Compounds

2-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83147334
2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120689194
3-(3,5-dichlorophenyl)-2-[2-(oxan-4-yl)propanoylamino]propanoic acid
CID 120688817
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
(2S)-2-(2-cyclopropylpropanoylamino)-4-methoxy-4-oxobutanoic acid
CID 83146560
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533750
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816
2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
CID 114115133
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
CID 109481380
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid (CID 120689181) is 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid is CC(C(=O)NC(CCOC(C)(C)C)C(=O)O)C1CCOCC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid?
The InChIKey is LMISYHIMRUWXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-11(12-5-8-21-9-6-12)14(18)17-13(15(19)20)7-10-22-16(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid?
4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid has a molecular weight of 315.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 120689181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).