2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid

C15H19NO5 — CID 146137095

IUPAC2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid
SMILESC=C(C)CC(NC(=O)c1cc(OC)cc(OC)c1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9(2)5-13(15(18)19)16-14(17)10-6-11(20-3)8-12(7-10)21-4/h6-8,13H,1,5H2,2-4H3,(H,16,17)(H,18,19)
InChIKeyPEIPVOZOSJZBOS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.85
Rot. Bonds7

About 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid

2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid (PubChem CID 146137095) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid
PubChem CID146137095
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid
SMILESC=C(C)CC(NC(=O)c1cc(OC)cc(OC)c1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9(2)5-13(15(18)19)16-14(17)10-6-11(20-3)8-12(7-10)21-4/h6-8,13H,1,5H2,2-4H3,(H,16,17)(H,18,19)
InChIKeyPEIPVOZOSJZBOS-UHFFFAOYSA-N
XLogP1.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3,5-dimethoxybenzoyl)amino]butanoic acid
CID 42255068
2-methylprop-2-enyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 42161531
(2S)-2-[(4-hydroxy-3,5-dimethoxybenzoyl)amino]butanedioic acid
CID 100914230
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
N-(1-amino-1-sulfanylidenepentan-2-yl)-3,5-dimethoxybenzamide
CID 61120314
diethyl 2-[(3,5-dimethoxybenzoyl)amino]propanedioate
CID 33240158
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid?
The IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid (CID 146137095) is 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid?
The canonical SMILES for 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid is C=C(C)CC(NC(=O)c1cc(OC)cc(OC)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid?
The InChIKey is PEIPVOZOSJZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(2)5-13(15(18)19)16-14(17)10-6-11(20-3)8-12(7-10)21-4/h6-8,13H,1,5H2,2-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid?
2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxybenzoyl)amino]-4-methylpent-4-enoic acid is sourced from PubChem (CID 146137095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).