2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C15H27NO4 — CID 120689194

IUPAC2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESC=C(C)CC(C)C(=O)NC(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-10(2)9-11(3)13(17)16-12(14(18)19)7-8-20-15(4,5)6/h11-12H,1,7-9H2,2-6H3,(H,16,17)(H,18,19)
InChIKeyDYDQEGPCZWYZGX-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.36
Rot. Bonds8

About 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120689194) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120689194
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESC=C(C)CC(C)C(=O)NC(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-10(2)9-11(3)13(17)16-12(14(18)19)7-8-20-15(4,5)6/h11-12H,1,7-9H2,2-6H3,(H,16,17)(H,18,19)
InChIKeyDYDQEGPCZWYZGX-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120689181
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 4712492
2-(2,4-dimethylpent-4-enoylamino)-3-methylbutanoic acid
CID 120684429
4-(2,4-dimethylpent-4-enoylamino)pentanoic acid
CID 120689381
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
(2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 122173600
3-(2,4-dimethylpent-4-enoylamino)-2,2-dimethylpropanoic acid
CID 120687904
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[2-(2,3-difluorophenyl)acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533646
(2R)-2-[[(S)-tert-butylsulfinyl]amino]-4-methylpent-4-enoic acid
CID 125475640
4-(2,4-dimethylpent-4-enoylamino)-3-methylbutanoic acid
CID 120689729

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120689194) is 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid is C=C(C)CC(C)C(=O)NC(CCOC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is DYDQEGPCZWYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-10(2)9-11(3)13(17)16-12(14(18)19)7-8-20-15(4,5)6/h11-12H,1,7-9H2,2-6H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpent-4-enoylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120689194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).